Search by PubMed Identification
PMID | Data | Article Title | Citation | Organization | Data Download |
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26999509 | 7 | Discovery of Potent Benzofuran-Derived Diapophytoene Desaturase (CrtN) Inhibitors with Enhanced Oral Bioavailability for the Treatment of Methicillin-Resistant Staphylococcus aureus (MRSA) Infections. | J Med Chem 59: 3215-30 (2016) | East China University of Science and Technology | 2D 3D TSV |
26999325 | 30 | Synthesis, anti-inflammatory, analgesic and COX-1/2 inhibition activities of anilides based on 5,5-diphenylimidazolidine-2,4-dione scaffold: Molecular docking studies. | Eur J Med Chem 115: 121-31 (2016) | King Saud University | 2D 3D TSV |
26996374 | 75 | Discovery of a series of 8-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-morpholino-4-oxo-chromene-6-carboxamides as PI3K?/? inhibitors for the treatment of PTEN-deficient tumours. | Bioorg Med Chem Lett 26: 2318-23 (2016) | AstraZeneca | 2D 3D TSV |
26996373 | 5 | Synthesis of azepino[4,5-b]indol-4-ones via MCR/free radical cyclization and in vitro-in silico studies as 5-Ht?R ligands. | Bioorg Med Chem Lett 26: 2333-8 (2016) | Universidad de Guanajuato | 2D 3D TSV |
26996372 | 10 | Identification of new quinic acid derivatives as histone deacetylase inhibitors by fluorescence-based cellular assay. | Bioorg Med Chem Lett 26: 2365-9 (2016) | Sungkyunkwan University | 2D 3D TSV |
26996371 | 27 | Piperidine derivatives as nonprostanoid IP receptor agonists. | Bioorg Med Chem Lett 26: 2360-4 (2016) | Toray Industries Inc | 2D 3D TSV |
26995531 | 32 | Development of a potent and selective FLT3 kinase inhibitor by systematic expansion of a non-selective fragment-screening hit. | Bioorg Med Chem Lett 26: 2370-4 (2016) | The University of Tokyo | 2D 3D TSV |
26995529 | 14 | 2-Phenylbenzofuran derivatives as butyrylcholinesterase inhibitors: Synthesis, biological activity and molecular modeling. | Bioorg Med Chem Lett 26: 2308-13 (2016) | University of Cagliari | 2D 3D TSV |
26995528 | 60 | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. | Bioorg Med Chem Lett 26: 2328-32 (2016) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26994846 | 50 | Synthesis and biological activities of indolizine derivatives as alpha-7 nAChR agonists. | Eur J Med Chem 115: 94-108 (2016) | Peking University | 2D 3D TSV |
26994844 | 8 | Applying the designed multiple ligands approach to inhibit dihydrofolate reductase and thioredoxin reductase for anti-proliferative activity. | Eur J Med Chem 115: 63-74 (2016) | National University of Singapore | 2D 3D TSV |
26994843 | 3 | Design, synthesis and evaluation of novel HIV-1 NNRTIs with dual structural conformations targeting the entrance channel of the NNRTI binding pocket. | Eur J Med Chem 115: 53-62 (2016) | Shandong University | 2D 3D TSV |
26994638 | 27 | Thiadiazole derivatives as New Class ofß-glucuronidase inhibitors. | Bioorg Med Chem 24: 1909-18 (2016) | University of Karachi | 2D 3D TSV |
26993745 | 19 | Discovery of novel N,N-3-phenyl-3-benzylaminopropionanilides as potent inhibitors of cholesteryl ester transfer protein in vivo. | Bioorg Med Chem 24: 1811-8 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26991939 | 31 | 2,8-Diazaspiro[4.5]decan-8-yl)pyrimidin-4-amine potent CCR4 antagonists capable of inducing receptor endocytosis. | Eur J Med Chem 115: 14-25 (2016) | GlaxoSmithKline Medicines Research Centre | 2D 3D TSV |
26990539 | 79 | Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR)ß Agonist. | J Med Chem 59: 3264-71 (2016) | Vitae Pharmaceuticals Inc | 2D 3D TSV |
26988803 | 32 | Design and evaluation of novel glutaminase inhibitors. | Bioorg Med Chem 24: 1819-39 (2016) | University of Pittsburgh | 2D 3D TSV |
26988801 | 55 | Design, physico-chemical properties and biological evaluation of some new N-[(phenoxy)alkyl]- and N-{2-[2-(phenoxy)ethoxy]ethyl}aminoalkanols as anticonvulsant agents. | Bioorg Med Chem 24: 1793-810 (2016) | Jagiellonian University Medical College | 2D 3D TSV |
26988308 | 130 | N-Alkylpyrido[1',2':1,5]pyrazolo-[4,3-d]pyrimidin-4-amines: A new series of negative allosteric modulators of mGlu1/5 with CNS exposure in rodents. | Bioorg Med Chem Lett 26: 1894-900 (2016) | Vanderbilt University Medical Center | 2D 3D TSV |
26988306 | 12 | Selective inhibitors of Bcl-2 and Bcl-xL: Balancing antitumor activity with on-target toxicity. | Bioorg Med Chem Lett 26: 2105-14 (2016) | AstraZeneca | 2D 3D TSV |
26988304 | 12 | Pharmacophore elucidation of phosphoiodyn A - Potent and selective peroxisome proliferator-activated receptorß/d agonists with neuroprotective activity. | Bioorg Med Chem Lett 26: 1889-93 (2016) | Texas Tech University Health Sciences Center | 2D 3D TSV |
26988302 | 104 | Lead optimization of the VU0486321 series of mGlu1 PAMs. Part 3. Engineering plasma stability by discovery and optimization of isoindolinone analogs. | Bioorg Med Chem Lett 26: 1869-72 (2016) | Vanderbilt University Medical Center | 2D 3D TSV |
26988301 | 16 | Identification of nonabsorbable inhibitors of the scavenger receptor-BI (SR-BI) for tissue-specific administration. | Bioorg Med Chem Lett 26: 1901-4 (2016) | GlaxoSmithKline | 2D 3D TSV |
26987013 | 96 | A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease. | J Med Chem 59: 3098-111 (2016) | Norgine Ltd | 2D 3D TSV |
26986178 | 172 | Synthesis and Pharmacological Characterization of Novel Glucagon-like Peptide-2 (GLP-2) Analogues with Low Systemic Clearance. | J Med Chem 59: 3129-39 (2016) | Ferring Research Institute Inc. | 2D 3D TSV |
26986036 | 73 | Discovery and Structure-Activity Relationship of a Bioactive Fragment of ELABELA that Modulates Vascular and Cardiac Functions. | J Med Chem 59: 2962-72 (2016) | Universit£ de Sherbrooke | 2D 3D TSV |
26985630 | 46 | Structure-based design of N-substituted 1-hydroxy-4-sulfamoyl-2-naphthoates as selective inhibitors of the Mcl-1 oncoprotein. | Eur J Med Chem 113: 273-92 (2016) | University of Maryland | 2D 3D TSV |
26985325 | 62 | Discovery of 3-Substituted 1H-Indole-2-carboxylic Acid Derivatives as a Novel Class of CysLT1 Selective Antagonists. | ACS Med Chem Lett 7: 335-9 (2016) | Shanghai Institute of Materia Medica | 2D 3D TSV |
26985323 | 5 | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. | ACS Med Chem Lett 7: 324-9 (2016) | Merck Research Laboratories | 2D 3D TSV |
26985321 | 54 | Optimization of Novel Aza-benzimidazolone mGluR2 PAMs with Respect to LLE and PK Properties and Mitigation of CYP TDI. | ACS Med Chem Lett 7: 312-7 (2016) | Merck Research Laboratories | 2D 3D TSV |
26985320 | 89 | Discovery of G Protein-Biased EP2 Receptor Agonists. | ACS Med Chem Lett 7: 306-11 (2016) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
26985319 | 36 | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. | ACS Med Chem Lett 7: 300-5 (2016) | AstraZeneca | 2D 3D TSV |
26985318 | 5 | Identification of a Small Molecule Cyclophilin D Inhibitor for Rescuing Aß-Mediated Mitochondrial Dysfunction. | ACS Med Chem Lett 7: 294-9 (2016) | University of Kansas | 2D 3D TSV |
26985317 | 20 | Discovery and Preclinical Evaluation of BMS-955829, a Potent Positive Allosteric Modulator of mGluR5. | ACS Med Chem Lett 7: 289-93 (2016) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
26985316 | 17 | Identification and Preclinical Pharmacology of BMS-986104: A Differentiated S1P1 Receptor Modulator in Clinical Trials. | ACS Med Chem Lett 7: 283-8 (2016) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26985315 | 49 | Discovery of Aryl Sulfonamides as Isoform-Selective Inhibitors of NaV1.7 with Efficacy in Rodent Pain Models. | ACS Med Chem Lett 7: 277-82 (2016) | Xenon Pharmaceuticals Inc | 2D 3D TSV |
26985314 | 23 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain Aß Reduction in Rodents. | ACS Med Chem Lett 7: 271-6 (2016) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26985313 | 1 | Design, Syntheses, and Anti-TB Activity of 1,3-Benzothiazinone Azide and Click Chemistry Products Inspired by BTZ043. | ACS Med Chem Lett 7: 266-70 (2016) | University of Notre Dame | 2D 3D TSV |
26985312 | 36 | Discovery of Novel Indoline Cholesterol Ester Transfer Protein Inhibitors (CETP) through a Structure-Guided Approach. | ACS Med Chem Lett 7: 261-5 (2016) | Merck Research Laboratories | 2D 3D TSV |
26985310 | 8 | Synthesis and Evaluation of Macrocyclic Peptide Aldehydes as Potent and Selective Inhibitors of the 20S Proteasome. | ACS Med Chem Lett 7: 250-5 (2016) | Whitman College | 2D 3D TSV |
26985309 | 8 | Astemizole Derivatives as Fluorescent Probes for hERG Potassium Channel Imaging. | ACS Med Chem Lett 7: 245-9 (2016) | Shandong University | 2D 3D TSV |
26985306 | 18 | Structure-Activity Relationship Studies and Molecular Modeling of Naphthalene-Based Sphingosine Kinase 2 Inhibitors. | ACS Med Chem Lett 7: 229-34 (2016) | Virginia Tech | 2D 3D TSV |
26985305 | 34 | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. | ACS Med Chem Lett 7: 223-8 (2016) | Genentech Inc | 2D 3D TSV |
26985304 | 23 | Potential Use of Inhibitors of Tankyrases and PARP-1 as Treatment for Cancer and Other Diseases. | ACS Med Chem Lett 7: 209-10 (2016) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26985303 | 12 | Glutaminase GLS1 Inhibitors as Potential Cancer Treatment. | ACS Med Chem Lett 7: 207-8 (2016) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26985302 | 12 | MALT1 Inhibitors May Potentially Treat Lymphomas and Autoimmune Disorders. | ACS Med Chem Lett 7: 205-6 (2016) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26985301 | 55 | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. | ACS Med Chem Lett 7: 217-22 (2016) | GlaxoSmithKline | 2D 3D TSV |
26985300 | 110 | Cathepsin B Inhibitors: Combining Dipeptide Nitriles with an Occluding Loop Recognition Element by Click Chemistry. | ACS Med Chem Lett 7: 211-6 (2016) | University of Bonn | 2D 3D TSV |
26985297 | 60 | Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists. | ACS Med Chem Lett 7: 192-7 (2016) | Roche Innovation Center Basel | 2D 3D TSV |
26985296 | 4 | New Colchicine-Derived Triazoles and Their Influence on Cytotoxicity and Microtubule Morphology. | ACS Med Chem Lett 7: 188-91 (2016) | University of Cologne | 2D 3D TSV |
26985294 | 114 | Design and Synthesis of Nonpeptide Inhibitors of Hepatocyte Growth Factor Activation. | ACS Med Chem Lett 7: 177-81 (2016) | Southern Research | 2D 3D TSV |
26985290 | 6 | Characterizing the Covalent Targets of a Small Molecule Inhibitor of the Lysine Acetyltransferase P300. | ACS Med Chem Lett 7: 151-5 (2016) | National Cancer Institute | 2D 3D TSV |
26985288 | 26 | Selective Inhibition of CBX6: A Methyllysine Reader Protein in the Polycomb Family. | ACS Med Chem Lett 7: 139-44 (2016) | University of Victoria | 2D 3D TSV |
26985287 | 46 | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. | ACS Med Chem Lett 7: 134-8 (2016) | Epizyme Inc. | 2D 3D TSV |
26985285 | 4 | Dihydropteridinone Inhibitors of BRD4. | ACS Med Chem Lett 7: (2016) | Dart Neuroscience LLC | 2D 3D TSV |
26985284 | 30 | Inhibition of Histone Demethylases Offers a Novel and Promising Approach for the Treatment of Cancer and Other Diseases. | ACS Med Chem Lett 7: 128-30 (2016) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26982797 | 20 | The"Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. | J Med Chem 59: 3087-97 (2016) | University of Z£rich | 2D 3D TSV |
26982372 | 73 | Bcl-2/MDM2 Dual Inhibitors Based on Universal Pyramid-Like ?-Helical Mimetics. | J Med Chem 59: 3152-62 (2016) | Dalian University of Technology | 2D 3D TSV |
26982234 | 252 | 5-((3-Amidobenzyl)oxy)nicotinamides as Sirtuin 2 Inhibitors. | J Med Chem 59: 2928-41 (2016) | University of Minnesota | 2D 3D TSV |
26981782 | 12 | Synthesis and Structure-Activity Relationships of N-Dihydrocoptisine-8-ylidene Aromatic Amines and N-Dihydrocoptisine-8-ylidene Aliphatic Amides as Antiulcerative Colitis Agents Targeting XBP1. | J Nat Prod 79: 775-83 (2016) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
26980109 | 42 | 2,4,6-Triaminopyrimidine as a Novel Hinge Binder in a Series of PI3Kd Selective Inhibitors. | J Med Chem 59: 3532-48 (2016) | Gilead Sciences Inc | 2D 3D TSV |
26979485 | 5 | Synthesis and biological evaluation of quinoline derivatives as potential anti-prostate cancer agents and Pim-1 kinase inhibitors. | Bioorg Med Chem 24: 1889-97 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26979157 | 60 | Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors. | Bioorg Med Chem Lett 26: 1910-8 (2016) | Beijing Pearl Biotech Ltd | 2D 3D TSV |
26979156 | 11 | Rational modification of the lead molecule: Enhancement in the anticancer and dihydrofolate reductase inhibitory activity. | Bioorg Med Chem Lett 26: 1936-40 (2016) | Guru Nanak Dev University | 2D 3D TSV |
26978477 | 25 | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors ofß-Secretase. | J Med Chem 59: 3732-49 (2016) | Amgen Inc | 2D 3D TSV |
26978121 | 20 | Discovery and modelling studies of natural ingredients from Gaultheria yunnanensis (FRANCH.) against phosphodiesterase-4. | Eur J Med Chem 114: 134-40 (2016) | Sun Yat-sen University | 2D 3D TSV |
26976215 | 5 | Development of thieno- and benzopyrimidinone inhibitors of the Hedgehog signaling pathway reveals PDE4-dependent and PDE4-independent mechanisms of action. | Bioorg Med Chem Lett 26: 1947-53 (2016) | Vanderbilt University School of Medicine | 2D 3D TSV |
26976214 | 15 | Approaching the active conformation of 1,3-diaminopyrimidine based covalent inhibitors of Bruton's tyrosine kinase for treatment of Rheumatoid arthritis. | Bioorg Med Chem Lett 26: 1954-7 (2016) | KBP Biosciences | 2D 3D TSV |
26976213 | 23 | Fragment-based discovery of inhibitor scaffolds targeting the metallo-ß-lactamases NDM-1 and VIM-2. | Bioorg Med Chem Lett 26: 1973-7 (2016) | UiT The Arctic University of Norway | 2D 3D TSV |
26974385 | 11 | Synthesis, in vitro evaluation, and molecular modeling investigation of benzenesulfonimide peroxisome proliferator-activated receptorsa antagonists. | Eur J Med Chem 114: 191-200 (2016) | Universit£"G. d'Annunzio" | 2D 3D TSV |
26974384 | 94 | Sulfatase inhibitors for recidivist breast cancer treatment: A chemical review. | Eur J Med Chem 114: 170-90 (2016) | Punjabi University | 2D 3D TSV |
26974383 | 11 | Design and synthesis of novel chalcones as potent selective monoamine oxidase-B inhibitors. | Eur J Med Chem 114: 162-9 (2016) | Qatar University | 2D 3D TSV |
26974376 | 2 | Discovery of non-peptide small molecular CXCR4 antagonists as anti-HIV agents: Recent advances and future opportunities. | Eur J Med Chem 114: 65-78 (2016) | Shandong University | 2D 3D TSV |
26974375 | 11 | Chroman-4-one and chromone based somatostatinß-turn mimetics. | Eur J Med Chem 114: 59-64 (2016) | University of Gothenburg | 2D 3D TSV |
26972919 | 13 | Design and synthesis of thiourea derivatives with sulfur-containing heterocyclic scaffolds as potential tyrosinase inhibitors. | Bioorg Med Chem 24: 1866-71 (2016) | East China University of Science and Technology | 2D 3D TSV |
26972117 | 48 | Comparison of the sulfonamide inhibition profiles of thea-,ß- and¿-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae. | Bioorg Med Chem Lett 26: 1941-6 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26970660 | 3 | Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations. | Bioorg Med Chem 24: 1683-95 (2016) | National and Kapodistrian University of Athens | 2D 3D TSV |
26970659 | 3 | Design, synthesis of phenstatin/isocombretastatin-oxindole conjugates as antimitotic agents. | Bioorg Med Chem 24: 1729-40 (2016) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
26968253 | 24 | Recent progress on third generation covalent EGFR inhibitors. | Bioorg Med Chem Lett 26: 1861-8 (2016) | Pfizer Inc | 2D 3D TSV |
26967980 | 6 | Sclerotiamide: The First Non-Peptide-Based Natural Product Activator of Bacterial Caseinolytic Protease P. | J Nat Prod 79: 1193-7 (2016) | University of Oklahoma COBRE in Structural Biology | 2D 3D TSV |
26965867 | 10 | Design, synthesis and docking studies of novel dipeptidyl boronic acid proteasome inhibitors constructed fromaa- andaß-amino acids. | Bioorg Med Chem Lett 26: 1958-62 (2016) | China Pharmaceutical University | 2D 3D TSV |
26965864 | 5 | Novel Imbricatolic acid derivatives as protein tyrosine phosphatase-1B inhibitors: Design, synthesis, biological evaluation and molecular docking. | Bioorg Med Chem Lett 26: 1988-92 (2016) | University of Lucknow | 2D 3D TSV |
26965862 | 3 | 7-Substituted umbelliferone derivatives as androgen receptor antagonists for the potential treatment of prostate and breast cancer. | Bioorg Med Chem Lett 26: 2000-4 (2016) | Cardiff University | 2D 3D TSV |
26965861 | 15 | D-Amino acid oxidase inhibitors based on the 5-hydroxy-1,2,4-triazin-6(1H)-one scaffold. | Bioorg Med Chem Lett 26: 2088-91 (2016) | Johns Hopkins University | 2D 3D TSV |
26965854 | 96 | Isoindolinone compounds active as Kv1.5 blockers identified using a multicomponent reaction approach. | Bioorg Med Chem Lett 26: 2023-9 (2016) | AstraZeneca | 2D 3D TSV |
26964675 | 5 | Synthesis, and docking studies of phenylpyrimidine-carboxamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety as c-Met inhibitors. | Bioorg Med Chem 24: 1749-56 (2016) | Jiangxi Science & Technology Normal University | 2D 3D TSV |
26964674 | 1 | Antiretroviral (HIV-1) activity of azulene derivatives. | Bioorg Med Chem 24: 1653-7 (2016) | University of Tartu | 2D 3D TSV |
26964672 | 26 | Novel tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one: Design, synthesis, model and use as hMAO-B inhibitors. | Bioorg Med Chem 24: 1741-8 (2016) | Anhui Medical University | 2D 3D TSV |
26964016 | 18 | Design, synthesis and biological evaluation of novel coumarin thiazole derivatives as a-glucosidase inhibitors. | Bioorg Chem 65: 167-74 (2016) | Jishou University | 2D 3D TSV |
26962886 | 65 | Understanding Oxadiazolothiazinone Biological Properties: Negative Inotropic Activity versus Cytochrome P450-Mediated Metabolism. | J Med Chem 59: 3340-52 (2016) | Universit£ di Perugia | 2D 3D TSV |
26962430 | 20 | Discovery of pyridyl-based inhibitors of Plasmodium falciparum N-myristoyltransferase. | Medchemcomm 6: 1767-1772 (2016) | Imperial College | 2D 3D TSV |
26962429 | 15 | Discovery of high affinity inhibitors of Leishmania donovani N-myristoyltransferase. | Medchemcomm 6: 1761-1766 (2016) | Imperial College | 2D 3D TSV |
26961283 | 10 | In vitro and in silico PTP-1B inhibition and in vivo antidiabetic activity of semisynthetic moronic acid derivatives. | Bioorg Med Chem Lett 26: 2018-22 (2016) | Universidad Aut£noma del Estado de Morelos | 2D 3D TSV |
26960032 | 15 | Identification of PTP1B and ?-Glucosidase Inhibitory Serrulatanes from Eremophila spp. by Combined use of Dual High-Resolution PTP1B and ?-Glucosidase Inhibition Profiling and HPLC-HRMS-SPE-NMR. | J Nat Prod 79: 1063-72 (2016) | University of Copenhagen | 2D 3D TSV |
26959173 | 85 | An in Vitro and in Vivo Investigation of Bivalent Ligands That Display Preferential Binding and Functional Activity for Different Melanocortin Receptor Homodimers. | J Med Chem 59: 3112-28 (2016) | University of Minnesota | 2D 3D TSV |
26958703 | 19 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). | J Med Chem 59: 2478-96 (2016) | Ontario Institute for Cancer Research | 2D 3D TSV |
26954848 | 38 | Discovery of 5-Chloro-1-(5-chloro-2-(methylsulfonyl)benzyl)-2-imino-1,2-dihydropyridine-3-carboxamide (TAK-259) as a Novel, Selective, and Orally Activea1D Adrenoceptor Antagonist with Antiurinary Frequency Effects: Reducing Human Ether-a-go-go-Related Gene (hERG) Liabilities. | J Med Chem 59: 2989-3002 (2016) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26954324 | 77 | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. | J Med Chem 59: 2410-22 (2016) | Max Planck Institute of Psychiatry | 2D 3D TSV |
26951894 | 376 | 1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists. | Bioorg Med Chem 24: 1619-36 (2016) | Aptuit s.r.l | 2D 3D TSV |
26951893 | 96 | Isatin analogs as novel inhibitors of Candida spp.ß-carbonic anhydrase enzymes. | Bioorg Med Chem 24: 1648-52 (2016) | Bezmialem Vakif University | 2D 3D TSV |
26951753 | 336 | Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors. | Bioorg Med Chem Lett 26: 2057-64 (2016) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26951750 | 59 | Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors. | Bioorg Med Chem Lett 26: 2065-7 (2016) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26950400 | 37 | Design, synthesis and biological evaluation of 1H-pyrrolo[2,3-b]pyridine and 1H-pyrazolo[3,4-b]pyridine derivatives as c-Met inhibitors. | Bioorg Chem 65: 146-58 (2016) | Tianjin University of Science and Technology | 2D 3D TSV |
26950392 | 26 | Small Molecule Inhibitors of Cyclophilin D To Protect Mitochondrial Function as a Potential Treatment for Acute Pancreatitis. | J Med Chem 59: 2596-611 (2016) | University of Liverpool | 2D 3D TSV |
26949507 | 4 | The discovery of a novel antibiotic for the treatment of Clostridium difficile infections: a story of an effective academic-industrial partnership. | Medchemcomm 6: 1420-1426 (2016) | University College London | 2D 3D TSV |
26949183 | 165 | Identification of novel GLUT inhibitors. | Bioorg Med Chem Lett 26: 1732-7 (2016) | Bayer Pharma AG | 2D 3D TSV |
26947959 | 35 | Synthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]-3-alkyl carbamates, novel acetylcholinesterase and butyrylcholinesterase pseudo-irreversible inhibitors. | Bioorg Med Chem 24: 1560-72 (2016) | University of Pardubice | 2D 3D TSV |
26947609 | 25 | Synthesis and biological evaluation of novel 6,7-dihydro-5H-cyclopenta[d]pyrimidine and 5,6,7,8-tetrahydroquinazoline derivatives as sigma-1 (s1) receptor antagonists for the treatment of pain. | Bioorg Med Chem Lett 26: 2051-6 (2016) | Renmin Hospital of Wuhan University | 2D 3D TSV |
26947607 | 18 | Pterostilbene-O-acetamidoalkylbenzylamines derivatives as novel dual inhibitors of cholinesterase with anti-ß-amyloid aggregation and antioxidant properties for the treatment of Alzheimer's disease. | Bioorg Med Chem Lett 26: 2035-9 (2016) | Sichuan University | 2D 3D TSV |
26946324 | 14 | Inhibition of HIV-1 Reverse Transcriptase Dimerization by Small Molecules. | Chembiochem 17: 683-8 (2016) | University of Siena | 2D 3D TSV |
26945113 | 9 | Amyloid cascade in Alzheimer's disease: Recent advances in medicinal chemistry. | Eur J Med Chem 113: 258-72 (2016) | University of Waterloo | 2D 3D TSV |
26945112 | 9 | Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes. | Eur J Med Chem 113: 246-57 (2016) | China Pharmaceutical University | 2D 3D TSV |
26945110 | 3 | Synthesis and evaluation of the cytotoxic activity of novel ethyl 4-[4-(4-substitutedpiperidin-1-yl)]benzyl-phenylpyrrolo[1,2-a]quinoxaline-carboxylate derivatives in myeloid and lymphoid leukemia cell lines. | Eur J Med Chem 113: 214-27 (2016) | University of Bordeaux | 2D 3D TSV |
26944625 | 26 | Synthesis, biological evaluation and structural analysis of novel peripherally active morphiceptin analogs. | Bioorg Med Chem 24: 1582-8 (2016) | Medical University of Lodz | 2D 3D TSV |
26944616 | 6 | Synthesis of tetracyclic iminosugars fused benzo[e][1,3]thiazin-4-one and their HIV-RT inhibitory activity. | Bioorg Med Chem Lett 26: 1738-41 (2016) | Hebei University | 2D 3D TSV |
26944615 | 7 | Target ?-catenin/CD44/Nanog axis in colon cancer cells by certain N'-(2-oxoindolin-3-ylidene)-2-(benzyloxy)benzohydrazides. | Bioorg Med Chem Lett 26: 1664-70 (2016) | King Saud University | 2D 3D TSV |
26944614 | 14 | Synthesis and antiproliferative activity of 6,7-disubstituted-4-phenoxyquinoline derivatives bearing the 2-oxo-4-chloro-1,2-dihydroquinoline-3-carboxamide moiety. | Bioorg Med Chem Lett 26: 1794-8 (2016) | Jiangxi Science and Technology Normal University | 2D 3D TSV |
26943489 | 8 | Discovery of Bifunctional Oncogenic Target Inhibitors against Allosteric Mitogen-Activated Protein Kinase (MEK1) and Phosphatidylinositol 3-Kinase (PI3K). | J Med Chem 59: 2512-22 (2016) | The University of Michigan Medical School | 2D 3D TSV |
26943478 | 16 | Synthesis and anti-acetylcholinesterase activity of scopoletin derivatives. | Bioorg Chem 65: 137-45 (2016) | Chulabhorn Research Institute | 2D 3D TSV |
26943020 | 65 | Pyrrolopyrimidine Derivatives as Novel Inhibitors of Multidrug Resistance-Associated Protein 1 (MRP1, ABCC1). | J Med Chem 59: 3018-33 (2016) | University of Bonn | 2D 3D TSV |
26942860 | 101 | Optimization of a Novel Quinazolinone-Based Series of Transient Receptor Potential A1 (TRPA1) Antagonists Demonstrating Potent in Vivo Activity. | J Med Chem 59: 2794-809 (2016) | Amgen Inc | 2D 3D TSV |
26938474 | 42 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. | J Med Chem 59: 2452-67 (2016) | GlaxoSmithKline | 2D 3D TSV |
26938274 | 52 | Exploiting the Chromone Scaffold for the Development of Inhibitors of Corticosteroid Biosynthesis. | J Med Chem 59: 2468-77 (2016) | University of Bologna | 2D 3D TSV |
26937828 | 137 | Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis. | J Med Chem 59: 2423-35 (2016) | Martin-Luther University of Halle-Wittenberg | 2D 3D TSV |
26937738 | 4 | Discovery of a New Inhibitor of Myeloid Differentiation 2 from Cinnamamide Derivatives with Anti-Inflammatory Activity in Sepsis and Acute Lung Injury. | J Med Chem 59: 2436-51 (2016) | Wenzhou Medical University | 2D 3D TSV |
26937601 | 55 | Structure-Based Design of an Iminoheterocyclicß-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aß in Nonhuman Primates. | J Med Chem 59: 3231-48 (2016) | Merck Research Laboratories | 2D 3D TSV |
26936592 | 8 | Limonoids and Triterpenoids as 11?-HSD1 Inhibitors from Walsura robusta. | J Nat Prod 79: 899-906 (2016) | Chinese Academy of Sciences | 2D 3D TSV |
26935942 | 41 | Synthesis and evaluation of analogs of the phenylpyridazinone NPD-001 as potent trypanosomal TbrPDEB1 phosphodiesterase inhibitors and in vitro trypanocidals. | Bioorg Med Chem 24: 1573-81 (2016) | Mercachem | 2D 3D TSV |
26935940 | 23 | Emerging targets and new small molecule therapies in Parkinson's disease treatment. | Bioorg Med Chem 24: 1419-30 (2016) | School of Medicine of University of Electronic Science and Technology of China | 2D 3D TSV |
26931395 | 13 | The Synthesis of 1,3,5-triazine Derivatives and JNJ7777120 Analogues with Histamine H4 Receptor Affinity and Their Interaction with PTEN Promoter. | Chem Biol Drug Des 88: 254-63 (2016) | Jagiellonian University Medical College | 2D 3D TSV |
26928019 | 39 | Discovery of a Potent Free Fatty Acid 1 Receptor Agonist with Low Lipophilicity, Low Polar Surface Area, and Robust in Vivo Efficacy. | J Med Chem 59: 2841-6 (2016) | University of Southern Denmark | 2D 3D TSV |
26927866 | 250 | 3-Hydroxypyrimidine-2,4-diones as Selective Active Site Inhibitors of HIV Reverse Transcriptase-Associated RNase H: Design, Synthesis, and Biochemical Evaluations. | J Med Chem 59: 2648-59 (2016) | University of Minnesota | 2D 3D TSV |
26927682 | 21 | Discovery of Potent and Orally Active Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors as a Potential Therapy for Diabetic Macular Edema. | J Med Chem 59: 2674-87 (2016) | Chinese Academy of Sciences | 2D 3D TSV |
26927488 | 4 | Discovery of novel 2-phenyl-imidazo[1,2-a]pyridine analogues targeting tubulin polymerization as antiproliferative agents. | Eur J Med Chem 112: 367-72 (2016) | Shanghai Institute of Materia Medica | 2D 3D TSV |
26927423 | 58 | Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors. | Bioorg Med Chem Lett 26: 1803-8 (2016) | Merck & Co. | 2D 3D TSV |
26925208 | 14 | Isothiazolo[4,3-b]pyridines as inhibitors of cyclin G associated kinase : synthesis, structure-activity relationship studies and antiviral activity. | Medchemcomm 6: 1666-1672 (2016) | KU Leuven | 2D 3D TSV |
26924461 | 45 | Potent and Selective Agonists of Sphingosine 1-Phosphate 1 (S1P1): Discovery and SAR of a Novel Isoxazole Based Series. | J Med Chem 59: 2820-40 (2016) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
26924380 | 7 | MutT Homolog 1 (MTH1): The Silencing of a Target. | J Med Chem 59: 2343-5 (2016) | Nerviano Medical Sciences srl | 2D 3D TSV |
26923695 | 43 | Novel 2,4-diaminopyrimidines bearing tetrahydronaphthalenyl moiety against anaplastic lymphoma kinase (ALK): Synthesis, in vitro, ex vivo, and in vivo efficacy studies. | Bioorg Med Chem Lett 26: 1720-5 (2016) | Chungbuk National University | 2D 3D TSV |
26923692 | 34 | Discovery of novel pyrrolo[2,3-b]pyridine derivatives bearing 1,2,3-triazole moiety as c-Met kinase inhibitors. | Bioorg Med Chem Lett 26: 1680-4 (2016) | Jiangxi Science and Technology Normal University | 2D 3D TSV |
26922232 | 24 | Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of sulphone-based CRTh2 antagonists. | Eur J Med Chem 113: 102-33 (2016) | Rhône-Poulenc Rorer | 2D 3D TSV |
26922228 | 21 | Increasing the binding affinity of VEGFR-2 inhibitors by extending their hydrophobic interaction with the active site: Design, synthesis and biological evaluation of 1-substituted-4-(4-methoxybenzyl)phthalazine derivatives. | Eur J Med Chem 113: 50-62 (2016) | Egyptian Russian University | 2D 3D TSV |
26922225 | 91 | Synthesis and structure activity relationship investigation of triazolo[1,5-a]pyrimidines as CB2 cannabinoid receptor inverse agonists. | Eur J Med Chem 113: 11-27 (2016) | Universit£ di Ferrara | 2D 3D TSV |
26922224 | 23 | 4,5-Diarylisoxazol-3-carboxylic acids: A new class of leukotriene biosynthesis inhibitors potentially targeting 5-lipoxygenase-activating protein (FLAP). | Eur J Med Chem 113: 1-10 (2016) | Gazi University | 2D 3D TSV |
26920803 | 80 | Sulfonamide inhibition studies of theß-carbonic anhydrase from the newly discovered bacterium Enterobacter sp. B13. | Bioorg Med Chem Lett 26: 1821-6 (2016) | Recep Tayyip Erdogan University | 2D 3D TSV |
26919761 | 107 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. | J Med Chem 59: 2760-79 (2016) | Pharmaron-Beijing Co., Ltd | 2D 3D TSV |
26918635 | 11 | Humudifucol and Bioactive Prenylated Polyphenols from Hops (Humulus lupulus cv."Cascade"). | J Nat Prod 79: 590-7 (2016) | University of Naples Federico II | 2D 3D TSV |
26918322 | 50 | Development and Characterization of Novel and Selective Inhibitors of Cytochrome P450 CYP26A1, the Human Liver Retinoic Acid Hydroxylase. | J Med Chem 59: 2579-95 (2016) | The University of Montana | 2D 3D TSV |
26917221 | 69 | Structure activity relationship studies on chemically non-reactive glycine sulfonamide inhibitors of diacylglycerol lipase. | Bioorg Med Chem 24: 1455-68 (2016) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26917219 | 63 | Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. | Bioorg Med Chem 24: 1528-39 (2016) | China Pharmaceutical University | 2D 3D TSV |
26916440 | 7 | Design, synthesis, and analysis of antagonists of GPR55: Piperidine-substituted 1,3,4-oxadiazol-2-ones. | Bioorg Med Chem Lett 26: 1827-30 (2016) | University of North Carolina at Greensboro | 2D 3D TSV |
26915401 | 1 | A Novel Inhibitor of the Obesity-Related Protein FTO. | Biochemistry 55: 1516-22 (2016) | Basic Medical College of Zhengzhou University | 2D 3D TSV |
26914985 | 124 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. | J Med Chem 59: 4462-75 (2016) | Boehringer Ingelheim RCV GmbH & Co KG | 2D 3D TSV |
26914744 | 24 | Chemical Space of DNA-Encoded Libraries. | J Med Chem 59: 6629-44 (2016) | University of Utah | 2D 3D TSV |
26914186 | 3 | Arylazolyl(azinyl)thioacetanilides: Part 19: Discovery of Novel Substituted Imidazo[4,5-b]pyridin-2-ylthioacetanilides as Potent HIV NNRTIs Via a Structure-based Bioisosterism Approach. | Chem Biol Drug Des 88: 241-53 (2016) | Shandong University | 2D 3D TSV |
26913788 | 4 | Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities. | J Nat Prod 79: 760-6 (2016) | Huazhong University of Science and Technology | 2D 3D TSV |
26912202 | 6 | Structure-guided design of new indoles as negative allosteric modulators (NAMs) of N-methyl-D-aspartate receptor (NMDAR) containing GluN2B subunit. | Bioorg Med Chem 24: 1513-9 (2016) | Farmaceutiche ed Ambientali (CHIBIOFARAM) Universit£ degli Studi di Messina | 2D 3D TSV |
26912112 | 6 | Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrinaIIbß3. | Bioorg Med Chem Lett 26: 1839-43 (2016) | A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine | 2D 3D TSV |
26910725 | 93 | Isoquinoline-1,3-diones as Selective Inhibitors of Tyrosyl DNA Phosphodiesterase II (TDP2). | J Med Chem 59: 2734-46 (2016) | University of Minnesota | 2D 3D TSV |
26908025 | 164 | PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design. | J Med Chem 59: 7029-65 (2016) | Vrije Universiteit Amsterdam | 2D 3D TSV |
26907204 | 34 | Design and synthesis of a new generation of substituted purine hydroxamate analogs as histone deacetylase inhibitors. | Bioorg Med Chem 24: 1446-54 (2016) | Shandong University | 2D 3D TSV |
26907157 | 1 | Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. | Eur J Med Chem 112: 347-66 (2016) | University of Z£rich | 2D 3D TSV |
26906637 | 2 | Inhibition of human DNA topoisomerase IIa by two novel ellipticine derivatives. | Bioorg Med Chem Lett 26: 1809-12 (2016) | Vanderbilt University School of Medicine | 2D 3D TSV |
26906474 | 4 | Synthesis and biological evaluation of new fluorinated and chlorinated indenoisoquinoline topoisomerase I poisons. | Bioorg Med Chem 24: 1469-79 (2016) | Purdue University | 2D 3D TSV |
26906472 | 6 | Design, synthesis, and docking studies of afatinib analogs bearing cinnamamide moiety as potent EGFR inhibitors. | Bioorg Med Chem 24: 1495-503 (2016) | Jiangxi Science & Technology Normal University | 2D 3D TSV |
26905831 | 11 | Altered activity profile of a tertiary silanol analog of multi-targeting nuclear receptor modulator T0901317. | Bioorg Med Chem Lett 26: 1817-20 (2016) | The University of Tokyo | 2D 3D TSV |
26905830 | 4 | Identification of novel estrogen receptor (ER) agonists that have additional and complementary anti-cancer activities via ER-independent mechanism. | Bioorg Med Chem Lett 26: 1844-8 (2016) | Kyung Hee University | 2D 3D TSV |
26905390 | 8 | Plumbagin, Juglone, and Boropinal as Novel TRPA1 Agonists. | J Nat Prod 79: 697-703 (2016) | Universit£t Leipzig | 2D 3D TSV |
26901666 | 26 | Design and Synthesis of Benzimidazoles As Novel Corticotropin-Releasing Factor 1 Receptor Antagonists. | J Med Chem 59: 2551-66 (2016) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26900761 | 4 | Feeling Nature's PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS). | J Nat Prod 79: 616-28 (2016) | Monash University (Parkville Campus) | 2D 3D TSV |
26900711 | 22 | Inhibition of Chikungunya Virus-Induced Cell Death by Salicylate-Derived Bryostatin Analogues Provides Additional Evidence for a PKC-Independent Pathway. | J Nat Prod 79: 680-4 (2016) | Stanford University | 2D 3D TSV |
26900660 | 35 | Design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterase 2. | Eur J Med Chem 112: 280-8 (2016) | Dalian Institute of Chemical Physics | 2D 3D TSV |
26900658 | 56 | Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation. | Eur J Med Chem 112: 258-69 (2016) | Jagiellonian University Medical College | 2D 3D TSV |
26900657 | 1 | New direct inhibitors of InhA with antimycobacterial activity based on a tetrahydropyran scaffold. | Eur J Med Chem 112: 252-7 (2016) | University of Ljubljana | 2D 3D TSV |
26900656 | 44 | Dihydropyrazole derivatives as telomerase inhibitors: Structure-based design, synthesis, SAR and anticancer evaluation in vitro and in vivo. | Eur J Med Chem 112: 231-51 (2016) | Anhui Medical University | 2D 3D TSV |
26899595 | 32 | A potent and selective inhibitor targeting human and murine 12/15-LOX. | Bioorg Med Chem 24: 1183-90 (2016) | University of California | 2D 3D TSV |
26898814 | 154 | SAR exploration at the C-3 position of tetrahydro-ß-carboline sstr3 antagonists. | Bioorg Med Chem Lett 26: 1529-35 (2016) | Merck Research Laboratories | 2D 3D TSV |
26898379 | 5 | Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. | J Med Chem 59: 2747-59 (2016) | Universit£ degli Studi di Siena | 2D 3D TSV |
26898338 | 4 | Synthesis of pyrimido[4,5-c]azepine- and pyrimido[4,5-c]oxepine-based¿-secretase modulators. | Bioorg Med Chem Lett 26: 1554-7 (2016) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26898335 | 22 | Identification of potent and selective MTH1 inhibitors. | Bioorg Med Chem Lett 26: 1503-7 (2016) | MD Anderson Cancer Center | 2D 3D TSV |
26898334 | 16 | Design and synthesis of [(125)I]Pyricoxib: A novel (125)I-labeled cyclooxygenase-2 (COX-2) inhibitors. | Bioorg Med Chem Lett 26: 1516-20 (2016) | University of Alberta | 2D 3D TSV |
26897593 | 46 | Stimulation of cortical bone formation with thienopyrimidine based inhibitors of Notum Pectinacetylesterase. | Bioorg Med Chem Lett 26: 1525-8 (2016) | Lexicon Pharmaceuticals, Inc. | 2D 3D TSV |
26897090 | 18 | Design, synthesis and biological evaluation of novel 4-phenoxy-6,7-disubstituted quinolines possessing (thio)semicarbazones as c-Met kinase inhibitors. | Bioorg Med Chem 24: 1331-45 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26897089 | 39 | Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists. | Bioorg Med Chem 24: 1384-91 (2016) | Vitae Pharmaceuticals | 2D 3D TSV |
26896709 | 113 | Systematic diversification of benzylidene heterocycles yields novel inhibitor scaffolds selective for Dyrk1A, Clk1 and CK2. | Eur J Med Chem 112: 209-16 (2016) | Saarland University | 2D 3D TSV |
26896706 | 18 | Design and synthesis of novel tamoxifen analogues that avoid CYP2D6 metabolism. | Eur J Med Chem 112: 171-9 (2016) | German University in Cairo | 2D 3D TSV |
26896705 | 2 | The natural diterpene tonantzitlolone A and its synthetic enantiomer inhibit cell proliferation and kinesin-5 function. | Eur J Med Chem 112: 164-70 (2016) | Hannover Medical School (MHH) | 2D 3D TSV |
26895657 | 13 | A new GLP-1 analogue with prolonged glucose-lowering activity in vivo via backbone-based modification at the N-terminus. | Bioorg Med Chem 24: 1163-70 (2016) | Peking University | 2D 3D TSV |
26895387 | 24 | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. | ACS Chem Biol 11: 1296-304 (2016) | Stony Brook University | 2D 3D TSV |
26894559 | 20 | Synthesis, a-glucosidase inhibitory, cytotoxicity and docking studies of 2-aryl-7-methylbenzimidazoles. | Bioorg Chem 65: 100-9 (2016) | Universiti Teknologi MARA (UiTM), Puncak Alam Campus | 2D 3D TSV |
26894427 | 11 | Preparation and Evaluation of Radiolabeled Antibody Recruiting Small Molecules That Target Prostate-Specific Membrane Antigen for Combined Radiotherapy and Immunotherapy. | J Med Chem 59: 2660-73 (2016) | McMaster University | 2D 3D TSV |
26891099 | 21 | Discovery of New Monocarbonyl Ligustrazine-Curcumin Hybrids for Intervention of Drug-Sensitive and Drug-Resistant Lung Cancer. | J Med Chem 59: 1747-60 (2016) | China Pharmaceutical University | 2D 3D TSV |
26890998 | 572 | Single Residue Substitutions That Confer Voltage-Gated Sodium Ion Channel Subtype Selectivity in the NaV1.7 Inhibitory Peptide GpTx-1. | J Med Chem 59: 2704-17 (2016) | Amgen Inc | 2D 3D TSV |
26890707 | 27 | Purine (N)-Methanocarba Nucleoside Derivatives Lacking an Exocyclic Amine as Selective A3 Adenosine Receptor Agonists. | J Med Chem 59: 3249-63 (2016) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
26890118 | 8 | Discovery of antitumor anthra[2,3-b]furan-3-carboxamides: Optimization of synthesis and evaluation of antitumor properties. | Eur J Med Chem 112: 114-29 (2016) | Mendeleyev University of Chemical Technology | 2D 3D TSV |
26890116 | 30 | Biphenyl-4-yl-acrylohydroxamic acids: Identification of a novel indolyl-substituted HDAC inhibitor with antitumor activity. | Eur J Med Chem 112: 99-105 (2016) | University of Milan | 2D 3D TSV |
26890114 | 56 | Design, synthesis and biological evaluation of bisthiazole-based trifluoromethyl ketone derivatives as potent HDAC inhibitors with improved cellular efficacy. | Eur J Med Chem 112: 81-90 (2016) | Shanghai Institute of Materia Medica | 2D 3D TSV |
26890113 | 41 | Tricyclic pyrazoles. Part 8. Synthesis, biological evaluation and modelling of tricyclic pyrazole carboxamides as potential CB2 receptor ligands with antagonist/inverse agonist properties. | Eur J Med Chem 112: 66-80 (2016) | Universit£ degli Studi di Sassari | 2D 3D TSV |
26888301 | 34 | Development and Pharmacological Characterization of Selective Blockers of 2-Arachidonoyl Glycerol Degradation with Efficacy in Rodent Models of Multiple Sclerosis and Pain. | J Med Chem 59: 2612-32 (2016) | University of Siena | 2D 3D TSV |
26886849 | 72 | Discovery of Highly Selective and Nanomolar Carbamate-Based Butyrylcholinesterase Inhibitors by Rational Investigation into Their Inhibition Mode. | J Med Chem 59: 2067-82 (2016) | Universit£t W£rzburg | 2D 3D TSV |
26885694 | 34 | Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase IIIß. | J Med Chem 59: 1830-9 (2016) | University of California | 2D 3D TSV |
26883149 | 6 | Identification of human telomerase inhibitors having the core of N-acyl-4,5-dihydropyrazole with anticancer effects. | Bioorg Med Chem Lett 26: 1508-11 (2016) | Hefei University of Technology | 2D 3D TSV |
26882288 | 32 | Challenges and Perspectives on the Development of Small-Molecule EGFR Inhibitors against T790M-Mediated Resistance in Non-Small-Cell Lung Cancer. | J Med Chem 59: 6580-94 (2016) | Dalian Medical University | 2D 3D TSV |
26881908 | 13 | De Novo Design at the Edge of Chaos. | J Med Chem 59: 4077-86 (2016) | Swiss Federal Institute of Technology (ETH) | 2D 3D TSV |
26881725 | 4 | An NMR Biochemical Assay for Fragment-Based Drug Discovery: Evaluation of an Inhibitor Activity on Spermidine Synthase of Trypanosoma cruzi. | J Med Chem 59: 2261-6 (2016) | National Institute of Advanced Industrial Science and Technology (AIST) | 2D 3D TSV |
26879857 | 50 | Application of PEG-400 as a green biodegradable polymeric medium for the catalyst-free synthesis of spiro-dihydropyridines and their use as acetyl and butyrylcholinesterase inhibitors. | Bioorg Med Chem 24: 1408-17 (2016) | Persian Gulf University | 2D 3D TSV |
26879855 | 17 | Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors: Synthesis, characterization and molecular docking studies. | Bioorg Med Chem 24: 1392-401 (2016) | In£n£ University | 2D 3D TSV |
26879854 | 2 | Design and synthesis of a series of serine derivatives as small molecule inhibitors of the SARS coronavirus 3CL protease. | Bioorg Med Chem 24: 1241-54 (2016) | Yamagata University | 2D 3D TSV |
26879314 | 26 | Novel morpholin-3-one fused quinazoline derivatives as EGFR tyrosine kinase inhibitors. | Bioorg Med Chem Lett 26: 1571-5 (2016) | Beijing University of Technology | 2D 3D TSV |
26878436 | 31 | Nociceptin Opioid Receptor (NOP) as a Therapeutic Target: Progress in Translation from Preclinical Research to Clinical Utility. | J Med Chem 59: 7011-28 (2016) | Astraea Therapeutics | 2D 3D TSV |
26878343 | 114 | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. | J Med Chem 59: 2054-66 (2016) | Vanderbilt University School of Medicine | 2D 3D TSV |
26878082 | 196 | An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy. | J Med Chem 59: 6595-628 (2016) | University of Bonn | 2D 3D TSV |
26876931 | 36 | Optimization of N'-(arylsulfonyl)pyrazoline-1-carboxamidines by exploiting a novel interaction site in the 5-HT6 antagonistic binding pocket. | Bioorg Med Chem Lett 26: 1605-11 (2016) | Abbott Healthcare Products BV | 2D 3D TSV |
26875933 | 72 | Development of 3-(4-aminosulphonyl)-phenyl-2-mercapto-3H-quinazolin-4-ones as inhibitors of carbonic anhydrase isoforms involved in tumorigenesis and glaucoma. | Bioorg Med Chem 24: 1402-7 (2016) | DAIS | 2D 3D TSV |
26874743 | 6 | Synthesis, biological evaluation and molecular modeling of pseudo-peptides based statine as inhibitors for human tissue kallikrein 5. | Eur J Med Chem 112: 39-47 (2016) | Universidade Federal Fluminense | 2D 3D TSV |
26874741 | 156 | The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity. | Eur J Med Chem 112: 20-32 (2016) | University of Manchester | 2D 3D TSV |
26874402 | 27 | Simple N(e)-thioacetyl-lysine-containing cyclic peptides exhibiting highly potent sirtuin inhibition. | Bioorg Med Chem Lett 26: 1612-7 (2016) | Jiangsu University | 2D 3D TSV |
26874344 | 6 | Dihydropyrano [2,3-c] pyrazole: Novel in vitro inhibitors of yeast a-glucosidase. | Bioorg Chem 65: 61-72 (2016) | King Abdulaziz University | 2D 3D TSV |
26874044 | 56 | Scouting new sigma receptor ligands: Synthesis, pharmacological evaluation and molecular modeling of 1,3-dioxolane-based structures and derivatives. | Eur J Med Chem 112: 1-19 (2016) | Universit£ di Modena e Reggio Emilia | 2D 3D TSV |
26873069 | 4 | Some Anticancer Agents Act on Human Serum Paraoxonase-1 to Reduce Its Activity. | Chem Biol Drug Des 88: 188-96 (2016) | Ahi Evran University | 2D 3D TSV |
26871940 | 7 | Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure-Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program. | J Med Chem 59: 1818-29 (2016) | Merck Research Laboratories | 2D 3D TSV |
26871660 | 68 | Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models. | Eur J Med Chem 111: 193-201 (2016) | San Raffaele Scientific Institute | 2D 3D TSV |
26869194 | 1 | A phenotypic drug discovery study on thienodiazepine derivatives as inhibitors of T cell proliferation induced by CD28 co-stimulation leads to the discovery of a first bromodomain inhibitor. | Bioorg Med Chem Lett 26: 1365-70 (2016) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
26869193 | 8 | In silico to in vitro screening of hydroxypyridinones as acetylcholinesterase inhibitors. | Bioorg Med Chem Lett 26: 1624-8 (2016) | University of British Columbia | 2D 3D TSV |
26867485 | 32 | Design, synthesis and biological evaluation of imidazo[2,1-b]thiazole and benzo[d]imidazo[2,1-b]thiazole derivatives as Mycobacterium tuberculosis pantothenate synthetase inhibitors. | Bioorg Med Chem 24: 1298-307 (2016) | Birla Institute of Technology | 2D 3D TSV |
26866968 | 59 | Potenta-amino-ß-lactam carbamic acid ester as NAAA inhibitors. Synthesis and structure-activity relationship (SAR) studies. | Eur J Med Chem 111: 138-59 (2016) | Italian Institute of Technology | 2D 3D TSV |
26864917 | 3 | Discovery of Novel Allosteric Eg5 Inhibitors Through Structure-Based Virtual Screening. | Chem Biol Drug Des 88: 178-87 (2016) | Southern Research Institute | 2D 3D TSV |
26863403 | 29 | Chemical Proteomics Reveals Ferrochelatase as a Common Off-target of Kinase Inhibitors. | ACS Chem Biol 11: 1245-54 (2016) | Technical University of Munich | 2D 3D TSV |
26862980 | 37 | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues. | J Med Chem 59: 2244-54 (2016) | University of Copenhagen | 2D 3D TSV |
26862767 | 40 | Discovery and Characterization of Biased Allosteric Agonists of the Chemokine Receptor CXCR3. | J Med Chem 59: 2222-43 (2016) | Friedrich-Alexander University | 2D 3D TSV |
26860926 | 46 | 2-Sulfonamidopyridine C-region analogs of 2-(3-fluoro-4-methylsulfonamidophenyl)propanamides as potent TRPV1 antagonists. | Bioorg Med Chem 24: 1231-40 (2016) | Seoul National University | 2D 3D TSV |
26860736 | 16 | Synthesis of benzofuran derivatives as selective inhibitors of tissue-nonspecific alkaline phosphatase: effects on cell toxicity and osteoblast-induced mineralization. | Bioorg Med Chem Lett 26: 1457-9 (2016) | Universit£ de Lyon | 2D 3D TSV |
26855413 | 9 | Synthesis of 6-chloro-2-Aryl-1H-imidazo[4,5-b]pyridine derivatives: Antidiabetic, antioxidant, ß-glucuronidase inhibiton and their molecular docking studies. | Bioorg Chem 65: 48-56 (2016) | Universiti Teknologi MARA (UiTM), Puncak Alam Campus | 2D 3D TSV |
26854747 | 35 | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors. | J Med Chem 59: 2163-78 (2016) | GlaxoSmithKline | 2D 3D TSV |
26854431 | 47 | Synthesis, structure elucidation, DNA-PK and PI3K and anti-cancer activity of 8- and 6-aryl-substituted-1-3-benzoxazines. | Eur J Med Chem 110: 326-39 (2016) | La Trobe University | 2D 3D TSV |
26854379 | 96 | Synthesis and biology of ring-modified l-Histidine containing thyrotropin-releasing hormone (TRH) analogues. | Eur J Med Chem 111: 72-83 (2016) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
26854376 | 31 | Non-symmetrical furan-amidines as novel leads for the treatment of cancer and malaria. | Eur J Med Chem 111: 33-45 (2016) | University of Manchester | 2D 3D TSV |
26853167 | 52 | Anion inhibition studies of theß-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae. | Bioorg Med Chem Lett 26: 1406-10 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26852623 | 2 | Natural Products as Sources of New Drugs from 1981 to 2014. | J Nat Prod 79: 629-61 (2016) | NIH Special Volunteer | 2D 3D TSV |
26852363 | 72 | Discovery of potent and selective CDK8 inhibitors from an HSP90 pharmacophore. | Bioorg Med Chem Lett 26: 1443-51 (2016) | Merck KGaA | 2D 3D TSV |
26852340 | 10 | Design, synthesis, and biological evaluation of water-soluble amino acid prodrug conjugates derived from combretastatin, dihydronaphthalene, and benzosuberene-based parent vascular disrupting agents. | Bioorg Med Chem 24: 938-56 (2016) | Baylor University | 2D 3D TSV |
26852005 | 82 | Novel N-acyl-carbazole derivatives as 5-HT7R antagonists. | Eur J Med Chem 110: 302-10 (2016) | Yonsei University | 2D 3D TSV |
26851835 | 15 | 2-Oxo-1,2-dihydropyridinyl-3-yl amide-based GPa inhibitors: Design, synthesis and structure-activity relationship study. | Eur J Med Chem 111: 1-14 (2016) | Griffith University | 2D 3D TSV |
26851737 | 36 | One-pot synthesis of tetrazole-1,2,5,6-tetrahydronicotinonitriles and cholinesterase inhibition: Probing the plausible reaction mechanism via computational studies. | Bioorg Chem 65: 38-47 (2016) | University of Karachi | 2D 3D TSV |
26851736 | 160 | Synthesis and pharmacological characterization of novel xanthine carboxylate amides as A2A adenosine receptor ligands exhibiting bronchospasmolytic activity. | Bioorg Chem 65: 26-37 (2016) | Panjab University | 2D 3D TSV |
26851505 | 65 | 5-Substituted 3-isopropyl-7-[4-(2-pyridyl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidines with anti-proliferative activity as potent and selective inhibitors of cyclin-dependent kinases. | Eur J Med Chem 110: 291-301 (2016) | Palack£ University and Institute of Experimental Botany AS CR | 2D 3D TSV |
26850377 | 80 | Sulfonamide inhibition studies of theß-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae. | Bioorg Med Chem 24: 1115-20 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26850376 | 36 | Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors. | Bioorg Med Chem 24: 1136-41 (2016) | Kyoto University | 2D 3D TSV |
26850006 | 10 | Anti-inflammatory and antioxidant properties of a novel resveratrol-salicylate hybrid analog. | Bioorg Med Chem Lett 26: 1411-5 (2016) | University of Alberta | 2D 3D TSV |
26850005 | 89 | Arylboronic acids as dual-action FAAH and TRPV1 ligands. | Bioorg Med Chem Lett 26: 1401-5 (2016) | Sapienza University of Rome | 2D 3D TSV |
26850003 | 1 | Discovery of silyl proline containing HCV NS5A inhibitors with pan-genotype activity: SAR development. | Bioorg Med Chem Lett 26: 1475-9 (2016) | Merck Research Laboratories | 2D 3D TSV |
26848109 | 8 | The natural flavone fukugetin as a mixed-type inhibitor for human tissue kallikreins. | Bioorg Med Chem Lett 26: 1485-9 (2016) | Campus Inc | 2D 3D TSV |
26848108 | 36 | Design and optimization of tricyclic gamma-secretase modulators. | Bioorg Med Chem Lett 26: 1498-502 (2016) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
26847872 | 4 | Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators. | J Med Chem 59: 2179-91 (2016) | University of Salerno | 2D 3D TSV |
26844689 | 22 | Development of Heat Shock Protein (Hsp90) Inhibitors To Combat Resistance to Tyrosine Kinase Inhibitors through Hsp90-Kinase Interactions. | J Med Chem 59: 5563-86 (2016) | Chinese Academy of Sciences | 2D 3D TSV |
26843921 | 39 | Identification of pyrazine-based TrkA inhibitors: design, synthesis, evaluation, and computational modeling studies. | Medchemcomm 5: 1507-1514 (2014) | The University of Arizona | 2D 3D TSV |
26841168 | 9 | Bioactive Constituents of Glycyrrhiza uralensis (Licorice): Discovery of the Effective Components of a Traditional Herbal Medicine. | J Nat Prod 79: 281-92 (2016) | Peking University | 2D 3D TSV |
26840366 | 72 | Amido/ureidosubstituted benzenesulfonamides-isatin conjugates as low nanomolar/subnanomolar inhibitors of the tumor-associated carbonic anhydrase isoform XII. | Eur J Med Chem 110: 259-66 (2016) | Egyptian Russian University | 2D 3D TSV |
26840365 | 3 | New quinoline derivatives as nicotinic receptor modulators. | Eur J Med Chem 110: 246-58 (2016) | University of Florence | 2D 3D TSV |
26840363 | 18 | Design, synthesis and biological evaluation of 3'-benzylated analogs of 3'-epi-neoponkoranol as potenta-glucosidase inhibitors. | Eur J Med Chem 110: 224-36 (2016) | China Pharmaceutical University | 2D 3D TSV |
26838810 | 16 | Synthesis of C-5a-chain extended derivatives of 4-epi-isofagomine: Powerfulß-galactosidase inhibitors and low concentration activators of GM1-gangliosidosis-related human lysosomalß-galactosidase. | Bioorg Med Chem Lett 26: 1438-42 (2016) | Graz University of Technology | 2D 3D TSV |
26836364 | 30 | Optimization by Molecular Fine Tuning of Dihydro-ß-agarofuran Sesquiterpenoids as Reversers of P-Glycoprotein-Mediated Multidrug Resistance. | J Med Chem 59: 1880-90 (2016) | Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" | 2D 3D TSV |
26833890 | 18 | Synthesis, Biological Evaluation, and Molecular Docking of 8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene Analogs: New Dual AChE Inhibitors as Potential Drugs for the Treatment of Alzheimer's Disease. | Chem Biol Drug Des 88: 43-53 (2016) | Yogi Vemana University | 2D 3D TSV |
26832218 | 44 | Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. | Bioorg Med Chem Lett 26: 1229-32 (2016) | Bristol-Myers Squibb Discovery | 2D 3D TSV |
26832216 | 41 | Sulfonamide inhibition studies of the¿-carbonic anhydrase from the Antarctic bacterium Colwellia psychrerythraea. | Bioorg Med Chem Lett 26: 1253-9 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26829280 | 26 | Novel 4-anilinoquinazoline derivatives featuring an 1-adamantyl moiety as potent EGFR inhibitors with enhanced activity against NSCLC cell lines. | Eur J Med Chem 110: 195-203 (2016) | Dalian Medical University | 2D 3D TSV |
26827162 | 6 | Synthesis, evaluation and structure-activity relationship of new 3-carboxamide coumarins as FXIIa inhibitors. | Eur J Med Chem 110: 181-94 (2016) | University of Namur | 2D 3D TSV |
26827140 | 83 | Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors. | Bioorg Med Chem 24: 1050-62 (2016) | Institute of Physiologically Active Compounds Russian Academy of Sciences | 2D 3D TSV |
26827137 | 26 | Pyrazole antagonists of the CB1 receptor with reduced brain penetration. | Bioorg Med Chem 24: 1063-70 (2016) | RTI International | 2D 3D TSV |
26826732 | 1 | Pyridoxine hydroxamic acids as novel HIV-integrase inhibitors. | Bioorg Med Chem Lett 26: 1233-6 (2016) | Ambrilia Biopharma Inc. | 2D 3D TSV |
26826731 | 28 | Identification and characterization of potent, selective and metabolically stable IKKß inhibitor. | Bioorg Med Chem Lett 26: 1120-3 (2016) | The Catholic University of Korea | 2D 3D TSV |
26826581 | 40 | Design and discovery of 4-anilinoquinazoline-acylamino derivatives as EGFR and VEGFR-2 dual TK inhibitors. | Eur J Med Chem 109: 371-9 (2016) | China Pharmaceutical University | 2D 3D TSV |
26824742 | 43 | Discovery of Potent and Highly Selective A2B Adenosine Receptor Antagonist Chemotypes. | J Med Chem 59: 1967-83 (2016) | Uppsala University | 2D 3D TSV |
26824643 | 69 | Mimicking of Arginine by Functionalized N(¿)-Carbamoylated Arginine As a New Broadly Applicable Approach to Labeled Bioactive Peptides: High Affinity Angiotensin, Neuropeptide Y, Neuropeptide FF, and Neurotensin Receptor Ligands As Examples. | J Med Chem 59: 1925-45 (2016) | University of Regensburg | 2D 3D TSV |
26824386 | 41 | Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor. | J Med Chem 59: 1176-83 (2016) | University of Toronto | 2D 3D TSV |
26824128 | 5 | N-Acyl Dehydrotyrosines, Tyrosinase Inhibitors from the Marine Bacterium Thalassotalea sp. PP2-459. | J Nat Prod 79: 447-50 (2016) | University of Rhode Island | 2D 3D TSV |
26822568 | 5 | Discovery of potent anti-tuberculosis agents targeting leucyl-tRNA synthetase. | Bioorg Med Chem 24: 1023-31 (2016) | NAS of Ukraine | 2D 3D TSV |
26822566 | 1 | Symmetric 4,4'-(piperidin-4-ylidenemethylene)bisphenol derivatives as novel tunable estrogen receptor (ER) modulators. | Bioorg Med Chem 24: 1089-94 (2016) | Tohoku Pharmaceutical University | 2D 3D TSV |
26821821 | 38 | Discovery of spirocyclic proline tryptophan hydroxylase-1 inhibitors. | Bioorg Med Chem Lett 26: 1124-9 (2016) | Karos Pharmaceuticals | 2D 3D TSV |
26821819 | 84 | 4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase. | Bioorg Med Chem Lett 26: 1184-7 (2016) | Lexicon Pharmaceuticals, Inc. | 2D 3D TSV |
26821818 | 25 | Inhibition of monoamine oxidase by benzoxathiolone analogues. | Bioorg Med Chem Lett 26: 1200-4 (2016) | North-West University | 2D 3D TSV |
26821210 | 4 | The Halicylindramides, Farnesoid X Receptor Antagonizing Depsipeptides from a Petrosia sp. Marine Sponge Collected in Korea. | J Nat Prod 79: 499-506 (2016) | Daegu-Gyeongbuk Medical Innovation Foundation | 2D 3D TSV |
26820900 | 11 | Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation. | J Med Chem 59: 1232-8 (2016) | University of Gothenburg | 2D 3D TSV |
26820556 | 156 | Synthesis, in vitro and in vivo pharmacological evaluation of serotoninergic ligands containing an isonicotinic nucleus. | Eur J Med Chem 110: 133-50 (2016) | Dipartimento di Farmacia Universit£ di Napoli"Federico II" | 2D 3D TSV |
26820555 | 87 | Synthesis and evaluation of colletoic acid core derivatives. | Eur J Med Chem 110: 126-32 (2016) | St. Jude Children's Research Hospital | 2D 3D TSV |
26820449 | 84 | Melatonergic ligands: Design, synthesis and pharmacological evaluation of novel series of naphthofuranic derivatives. | Eur J Med Chem 109: 360-70 (2016) | Universit£ de Lille | 2D 3D TSV |
26819675 | 26 | Potent Small Agonists of Protease Activated Receptor 2. | ACS Med Chem Lett 7: 105-10 (2016) | The University of Queensland | 2D 3D TSV |
26819674 | 66 | Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR. | ACS Med Chem Lett 7: 100-4 (2016) | Genentech | 2D 3D TSV |
26819673 | 55 | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. | ACS Med Chem Lett 7: 94-9 (2016) | AstraZeneca | 2D 3D TSV |
26819671 | 51 | Optimizing Ligand Efficiency of Selective Androgen Receptor Modulators (SARMs). | ACS Med Chem Lett 7: 83-8 (2016) | GlaxoSmithKline | 2D 3D TSV |
26819669 | 39 | Potent, Selective, and Orally Bioavailable Inhibitors of VPS34 Provide Chemical Tools to Modulate Autophagy in Vivo. | ACS Med Chem Lett 7: 72-6 (2016) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26819666 | 26 | Monoamine Oxidase Inhibitory Activity of Novel Pyrazoline Analogues: Curcumin Based Design and Synthesis. | ACS Med Chem Lett 7: 56-61 (2016) | Birla Institute of Technology | 2D 3D TSV |
26819665 | 16 | Discovery of a Potent and Orally Efficacious TGR5 Receptor Agonist. | ACS Med Chem Lett 7: 51-5 (2016) | Zydus Research Centre | 2D 3D TSV |
26819663 | 34 | Discovery of the Selective CYP17A1 Lyase Inhibitor BMS-351 for the Treatment of Prostate Cancer. | ACS Med Chem Lett 7: 40-5 (2016) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
26819662 | 13 | Potent, Selective, and CNS-Penetrant Tetrasubstituted Cyclopropane Class IIa Histone Deacetylase (HDAC) Inhibitors. | ACS Med Chem Lett 7: 34-9 (2016) | BioFocus | 2D 3D TSV |
26819660 | 82 | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR¿ Inhibitor. | ACS Med Chem Lett 7: 23-7 (2016) | Central Pharmaceutical Research Institute | 2D 3D TSV |
26819658 | 30 | Sulfonamide Derivatives and Pharmaceutical Applications Thereof. | ACS Med Chem Lett 7: 12-4 (2016) | Temple University | 2D 3D TSV |
26819657 | 8 | Cyclopropanamine Compounds and Use Thereof. | ACS Med Chem Lett 7: 10-1 (2016) | Temple University | 2D 3D TSV |
26819001 | 29 | Discovery of benzenesulfonamide derivatives as potent PI3K/mTOR dual inhibitors with in vivo efficacies against hepatocellular carcinoma. | Bioorg Med Chem 24: 957-66 (2016) | Second Military Medical University | 2D 3D TSV |
26819000 | 13 | Discovery of novel phenoxazinone derivatives as DKK1/LRP6 interaction inhibitors: Synthesis, biological evaluation and structure-activity relationships. | Bioorg Med Chem 24: 1014-22 (2016) | Aristotle University of Thessaloniki | 2D 3D TSV |
26818999 | 2 | Insight to the binding mode of triazole RGD-peptidomimetics to integrin-rich cancer cells by NMR and molecular modeling. | Bioorg Med Chem 24: 989-94 (2016) | University of Milano | 2D 3D TSV |
26818694 | 8 | ß-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ) from Francisella tularensis and Yersinia pestis: Structure Determination, Enzymatic Characterization, and Cross-Inhibition Studies. | Biochemistry 55: 1091-9 (2016) | Brookhaven National Laboratory | 2D 3D TSV |
26814680 | 71 | Identification of N-(6-mercaptohexyl)-3-(4-pyridyl)-1H-pyrazole-5-carboxamide and its disulfide prodrug as potent histone deacetylase inhibitors with in vitro and in vivo anti-tumor efficacy. | Eur J Med Chem 109: 350-9 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26814576 | 146 | New 4-Functionalized Glutamate Analogues Are Selective Agonists at Metabotropic Glutamate Receptor Subtype 2 or Selective Agonists at Metabotropic Glutamate Receptor Group III. | J Med Chem 59: 914-24 (2016) | University of Copenhagen | 2D 3D TSV |
26812276 | 1 | Oxaspirol B with p97 Inhibitory Activity and Other Oxaspirols from Lecythophora sp. FL1375 and FL1031, Endolichenic Fungi Inhabiting Parmotrema tinctorum and Cladonia evansii. | J Nat Prod 79: 340-52 (2016) | University of Arizona | 2D 3D TSV |
26812066 | 34 | Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity. | J Med Chem 59: 2328-42 (2016) | Amgen Inc | 2D 3D TSV |
26810836 | 28 | Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111. | Bioorg Med Chem 24: 976-81 (2016) | University of Florida College of Medicine | 2D 3D TSV |
26810712 | 25 | Design, synthesis, and docking studies of phenylpicolinamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety as c-Met inhibitors. | Bioorg Med Chem 24: 812-9 (2016) | Jiangxi Science & Technology Normal University | 2D 3D TSV |
26810711 | 30 | Fluorinated matrix metalloproteinases inhibitors--Phosphonate based potential probes for positron emission tomography. | Bioorg Med Chem 24: 902-9 (2016) | Westf£lische Wilhelms-Universit£t | 2D 3D TSV |
26810710 | 116 | A novel library of saccharin and acesulfame derivatives as potent and selective inhibitors of carbonic anhydrase IX and XII isoforms. | Bioorg Med Chem 24: 1095-105 (2016) | University of Chieti-Pescara | 2D 3D TSV |
26810316 | 29 | Discovery of 5-aryl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-ones as positive allosteric modulators of metabotropic glutamate subtype-2 (mGlu2) receptors with efficacy in a preclinical model of psychosis. | Bioorg Med Chem Lett 26: 1260-4 (2016) | Merck Research Laboratories | 2D 3D TSV |
26810314 | 12 | Structural determinants of subtype selectivity and functional activity of angiotensin II receptors. | Bioorg Med Chem Lett 26: 1355-9 (2016) | Uppsala University | 2D 3D TSV |
26810265 | 7 | Identification of new SUMO activating enzyme 1 inhibitors using virtual screening and scaffold hopping. | Bioorg Med Chem Lett 26: 1218-23 (2016) | RIKEN | 2D 3D TSV |
26810262 | 15 | Structure-activity relationship study of a series of novel oxazolidinone derivatives as IL-6 signaling blockers. | Bioorg Med Chem Lett 26: 1282-6 (2016) | Dongguk University-Seoul | 2D 3D TSV |
26810260 | 3 | Discovery of highly selective CRAF inhibitors, 3-carboxamido-2H-indazole-6-arylamide: In silico FBLD design, synthesis and evaluation. | Bioorg Med Chem Lett 26: 1188-92 (2016) | Hanyang University | 2D 3D TSV |
26808391 | 6 | A Dual Non-ATP Analogue Inhibitor of Aurora Kinases A and B, Derived from Resorcinol with a Mixed Mode of Inhibition. | Chem Biol Drug Des 87: 958-67 (2016) | Jawaharlal Nehru Centre for Advanced Scientific Research | 2D 3D TSV |
26807861 | 8 | Discovery of Dual Inhibitors for Wild Type and D816V Mutant of c-KIT Kinase through Virtual and Biochemical Screening of Natural Products. | J Nat Prod 79: 293-9 (2016) | Sejong University | 2D 3D TSV |
26807541 | 1 | Pyrrole: An emerging scaffold for construction of valuable therapeutic agents. | Eur J Med Chem 110: 13-31 (2016) | Padmashri Vikhe Patil College | 2D 3D TSV |
26805033 | 426 | Kinetically Selective Inhibitors of Human Carbonic Anhydrase Isozymes I, II, VII, IX, XII, and XIII. | J Med Chem 59: 2083-93 (2016) | Uppsala University | 2D 3D TSV |
26804375 | 22 | Synthesis of Novel Oxazolo[4,5-b]pyridine-2-one based 1,2,3-triazoles as Glycogen Synthase Kinase-3ß Inhibitors with Anti-inflammatory Potential. | Chem Biol Drug Des 87: 918-26 (2016) | Hamdard University (Jamia Hamdard) | 2D 3D TSV |
26804233 | 38 | Dissecting structure-activity-relationships of crebinostat: Brain penetrant HDAC inhibitors for neuroepigenetic regulation. | Bioorg Med Chem Lett 26: 1265-71 (2016) | Massachusetts General Hospital | 2D 3D TSV |
26804232 | 10 | Discovery of diamide compounds as diacylglycerol acyltransferase 1 (DGAT1) inhibitors. | Bioorg Med Chem Lett 26: 1245-8 (2016) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26804231 | 20 | Design and synthesis of substituted pyrido[3,2-d]-1,2,3-triazines as potential Pim-1 inhibitors. | Bioorg Med Chem Lett 26: 1224-8 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26804230 | 48 | Optimization of tetrahydronaphthalene inhibitors of Raf with selectivity over hERG. | Bioorg Med Chem Lett 26: 1156-60 (2016) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26804228 | 28 | Pyridazinone substituted benzenesulfonamides as potent carbonic anhydrase inhibitors. | Bioorg Med Chem Lett 26: 1337-41 (2016) | Jamia Hamdard (Hamdard University) | 2D 3D TSV |
26803577 | 92 | Synthesis of 4-sulfamoylphenyl-benzylamine derivatives with inhibitory activity against human carbonic anhydrase isoforms I, II, IX and XII. | Bioorg Med Chem 24: 982-8 (2016) | Harran University | 2D 3D TSV |
26802545 | 3 | Design, synthesis and anti-HIV evaluation of novel diarylpyridine derivatives targeting the entrance channel of NNRTI binding pocket. | Eur J Med Chem 109: 294-304 (2016) | Shandong University | 2D 3D TSV |
26800309 | 90 | Discovery of Narrow Spectrum Kinase Inhibitors: New Therapeutic Agents for the Treatment of COPD and Steroid-Resistant Asthma. | J Med Chem 59: 1727-46 (2016) | Sygnature Discovery Limited | 2D 3D TSV |
26796953 | 60 | Sulfonamides incorporating heteropolycyclic scaffolds show potent inhibitory action against carbonic anhydrase isoforms I, II, IX and XII. | Bioorg Med Chem 24: 921-7 (2016) | Universit£ di Pisa | 2D 3D TSV |
26796641 | 55 | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. | J Med Chem 59: 1078-101 (2016) | The Institute of Cancer Research | 2D 3D TSV |
26796065 | 2 | Investigation ofa-conotoxin unbinding using umbrella sampling. | Bioorg Med Chem Lett 26: 1296-300 (2016) | Ocean University of China | 2D 3D TSV |
26795115 | 34 | Ferulic acid-carbazole hybrid compounds: Combination of cholinesterase inhibition, antioxidant and neuroprotection as multifunctional anti-Alzheimer agents. | Bioorg Med Chem 24: 886-93 (2016) | Southeast University | 2D 3D TSV |
26795114 | 72 | Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action. | Bioorg Med Chem 24: 894-901 (2016) | National University of La Plata | 2D 3D TSV |
26795113 | 23 | Design, synthesis and biological evaluation of novel analgesic agents targeting both cyclooxygenase and TRPV1. | Bioorg Med Chem 24: 849-57 (2016) | Henan University | 2D 3D TSV |
26795112 | 6 | Structural features underlying raloxifene's biophysical interaction with bone matrix. | Bioorg Med Chem 24: 759-67 (2016) | Lilly Research Laboratories | 2D 3D TSV |
26794040 | 24 | Discovery of novel S1P2 antagonists, part 3: Improving the oral bioavailability of a series of 1,3-bis(aryloxy)benzene derivatives. | Bioorg Med Chem Lett 26: 1209-13 (2016) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
26794039 | 12 | Evaluation of phenylcyclopropylamine compounds by enzymatic assay of lysine-specific demethylase 2 in the presence of NPAC peptide. | Bioorg Med Chem Lett 26: 1193-5 (2016) | Waseda University | 2D 3D TSV |
26791385 | 12 | Design and Development of Microsomal Prostaglandin E2 Synthase-1 Inhibitors: Challenges and Future Directions. | J Med Chem 59: 5970-86 (2016) | University Jena | 2D 3D TSV |
26789933 | 100 | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases. | J Med Chem 59: 1149-64 (2016) | Intra-Cellular Therapies Inc | 2D 3D TSV |
26789553 | 10 | Discovery of 2-((3-Amino-4-methylphenyl)amino)-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-ABL-053) as a Potent, Selective, and Orally Available BCR-ABL/SRC/p38 Kinase Inhibitor for Chronic Myeloid Leukemia. | J Med Chem 59: 1984-2004 (2016) | High Magnetic Field Laboratory | 2D 3D TSV |
26789491 | 44 | Potentµ-Opioid Receptor Agonists from Cyclic Peptides Tyr-c[D-Lys-Xxx-Tyr-Gly]: Synthesis, Biological, and Structural Evaluation. | J Med Chem 59: 1239-45 (2016) | Torrey Pines Institute for Molecular Studies | 2D 3D TSV |
26789378 | 57 | Identification of Novel GPR55 Modulators Using Cell-Impedance-Based Label-Free Technology. | J Med Chem 59: 1840-53 (2016) | Instituto de Qu£mica M£dica | 2D 3D TSV |
26789203 | 100 | Characterization of Multisubstituted Corticotropin Releasing Factor (CRF) Peptide Antagonists (Astressins). | J Med Chem 59: 854-66 (2016) | Salk Institute | 2D 3D TSV |
26788588 | 1 | Turmeric Sesquiterpenoids: Expeditious Resolution, Comparative Bioactivity, and a New Bicyclic Turmeronoid. | J Nat Prod 79: 267-73 (2016) | Universit£ del Piemonte Orientale | 2D 3D TSV |
26787274 | 40 | Development of acridine derivatives as selective Mycobacterium tuberculosis DNA gyrase inhibitors. | Bioorg Med Chem 24: 877-85 (2016) | Institute of Technology & Science-Pilani | 2D 3D TSV |
26786695 | 12 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. | Bioorg Med Chem Lett 26: 1314-8 (2016) | Cubist Pharmaceuticals | 2D 3D TSV |
26786693 | 153 | Novel morpholine scaffolds as selective dopamine (DA) D3 receptor antagonists. | Bioorg Med Chem Lett 26: 1329-32 (2016) | Aptuit s.r.l | 2D 3D TSV |
26786496 | 2 | Identification of six new lupane-type triterpenoids from Acanthopanax koreanum leaves and their tyrosinase inhibitory activities. | Bioorg Med Chem Lett 26: 1061-7 (2016) | Catholic University of Daegu | 2D 3D TSV |
26785296 | 32 | Synthesis of 2-arylfuro[3,2-b]pyridines: Effect of the C2-aryl group on melatoninergic activity. | Eur J Med Chem 109: 268-75 (2016) | Universit£ d'Orl£ans | 2D 3D TSV |
26785295 | 35 | Synthesis of mixed MOR/KOR efficacy cyclic opioid peptide analogs with antinociceptive activity after systemic administration. | Eur J Med Chem 109: 276-86 (2016) | Medical University of Lodz | 2D 3D TSV |
26784936 | 2 | Synthesis and Characterization of Fatty Acid Conjugates of Niacin and Salicylic Acid. | J Med Chem 59: 1217-31 (2016) | Catabasis Pharmaceuticals | 2D 3D TSV |
26783181 | 24 | Design and discovery of Novel Thiazole acetamide derivatives as anticholinesterase agent for possible role in the management of Alzheimer's. | Bioorg Med Chem Lett 26: 747-50 (2016) | Linyi People's Hospital | 2D 3D TSV |
26781932 | 109 | Discovery of aminoquinazoline derivatives as human A(2A) adenosine receptor antagonists. | Bioorg Med Chem Lett 26: 1348-54 (2016) | Merck Research Laboratories | 2D 3D TSV |
26780831 | 8 | Synthesis and biological evaluation of 3-tetrazolo steroidal analogs: Novel class of 5a-reductase inhibitors. | Bioorg Med Chem 24: 779-88 (2016) | University Institute of Pharmaceutical Sciences | 2D 3D TSV |
26780304 | 22 | From Sphingosine Kinase to Dihydroceramide Desaturase: A Structure-Activity Relationship (SAR) Study of the Enzyme Inhibitory and Anticancer Activity of 4-((4-(4-Chlorophenyl)thiazol-2-yl)amino)phenol (SKI-II). | J Med Chem 59: 965-84 (2016) | Monash University (Parkville Campus) | 2D 3D TSV |
26778657 | 10 | Synthesis of novel polybrominated benzimidazole derivatives-potential CK2 inhibitors with anticancer and proapoptotic activity. | Bioorg Med Chem 24: 735-41 (2016) | Warsaw University of Technology | 2D 3D TSV |
26778612 | 25 | New MKLP-2 inhibitors in the paprotrain series: Design, synthesis and biological evaluations. | Bioorg Med Chem 24: 721-34 (2016) | CNRS | 2D 3D TSV |
26778256 | 145 | Lead optimization of the VU0486321 series of mGlu(1) PAMs. Part 2: SAR of alternative 3-methyl heterocycles and progress towards an in vivo tool. | Bioorg Med Chem Lett 26: 751-6 (2016) | Vanderbilt University Medical Center | 2D 3D TSV |
26778255 | 41 | Carbazole-containing sulfonamides and sulfamides: Discovery of cryptochrome modulators as antidiabetic agents. | Bioorg Med Chem Lett 26: 757-60 (2016) | Reset Therapeutics, Inc. | 2D 3D TSV |
26777299 | 7 | 2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors. | Bioorg Med Chem 24: 820-6 (2016) | Universit£ di Salerno | 2D 3D TSV |
26776360 | 30 | Design and discovery of new pyrimidine coupled nitrogen aromatic rings as chelating groups of JMJD3 inhibitors. | Bioorg Med Chem Lett 26: 721-5 (2016) | Chinese Academy of Sciences | 2D 3D TSV |
26776359 | 21 | Carbamate substituted 2-amino-4,6-diphenylpyrimidines as adenosine receptor antagonists. | Bioorg Med Chem Lett 26: 734-8 (2016) | North-West University | 2D 3D TSV |
26774929 | 58 | Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites. | Eur J Med Chem 109: 238-46 (2016) | University of Wisconsin | 2D 3D TSV |
26774928 | 10 | Design, synthesis, and biological evaluation of crenatoside analogues as novel influenza neuraminidase inhibitors. | Eur J Med Chem 109: 199-205 (2016) | Central South University | 2D 3D TSV |
26774927 | 120 | Potent multitarget FAAH-COX inhibitors: Design and structure-activity relationship studies. | Eur J Med Chem 109: 216-37 (2016) | Fondazione Istituto Italiano di Tecnologia | 2D 3D TSV |
26774924 | 22 | Highly improved antiparasitic activity after introduction of an N-benzylimidazole moiety on protein farnesyltransferase inhibitors. | Eur J Med Chem 109: 173-86 (2016) | CNRS UPR2301 | 2D 3D TSV |
26774923 | 26 | Design, synthesis, and biological evaluation of novel thiazolidinediones as PPAR¿/FFAR1 dual agonists. | Eur J Med Chem 109: 157-72 (2016) | Suez Canal University | 2D 3D TSV |
26774655 | 32 | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model. | Bioorg Med Chem Lett 26: 742-6 (2016) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26774652 | 12 | 4-Aryl-3-arylsulfonyl-quinolines as negative allosteric modulators of metabotropic GluR5 receptors: From HTS hit to development candidate. | Bioorg Med Chem Lett 26: 1249-52 (2016) | Gedeon Richter Plc | 2D 3D TSV |
26774579 | 140 | Design, synthesis and in vitro activity of phidianidine B derivatives as novel PTP1B inhibitors with specific selectivity. | Bioorg Med Chem Lett 26: 778-81 (2016) | Shanghai Institute of Materia Medica | 2D 3D TSV |
26774038 | 67 | Flavonoid derivatives as selective ABCC1 modulators: Synthesis and functional characterization. | Eur J Med Chem 109: 124-33 (2016) | University of Regensburg | 2D 3D TSV |
26774037 | 1 | Neuroprotective profile of pyridothiazepines with blocking activity of the mitochondrial Na(+)/Ca(2+) exchanger. | Eur J Med Chem 109: 114-23 (2016) | Universidad Aut£noma de Madrid | 2D 3D TSV |
26774035 | 16 | Synthesis and biological evaluation of fluorinated 1,5-diarylpyrrole-3-alkoxyethyl ether derivatives as selective COX-2 inhibitors endowed with anti-inflammatory activity. | Eur J Med Chem 109: 99-106 (2016) | University of Siena | 2D 3D TSV |
26773755 | 20 | Synthesis and tyrosinase inhibition activity of trans-stilbene derivatives. | Bioorg Chem 64: 97-102 (2016) | Indian Institute of Integrative Medicine | 2D 3D TSV |
26771861 | 22 | The Medicinal Chemistry of Dengue Virus. | J Med Chem 59: 5622-49 (2016) | Heidelberg University | 2D 3D TSV |
26771709 | 3 | Discovery of Highly Potent Inhibitors Targeting the Predominant Drug-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. | J Med Chem 59: 1207-16 (2016) | The University of Arizona | 2D 3D TSV |
26771665 | 41 | Discovery of the First Potent and Selective Inhibitors of Human dCTP Pyrophosphatase 1. | J Med Chem 59: 1140-8 (2016) | Karolinska Institutet | 2D 3D TSV |
26771245 | 7 | Recent developments of 2-aminothiazoles in medicinal chemistry. | Eur J Med Chem 109: 89-98 (2016) | Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com. | 2D 3D TSV |
26771203 | 114 | Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives. | J Med Chem 59: 1370-87 (2016) | GlaxoSmithKline | 2D 3D TSV |
26771129 | 13 | Dihydropyrimidine based hydrazine dihydrochloride derivatives as potent urease inhibitors. | Bioorg Chem 64: 85-96 (2016) | University of Karachi | 2D 3D TSV |
26771107 | 113 | Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-pyridine Carboxylate Derivatives. | J Med Chem 59: 1357-69 (2016) | GlaxoSmithKline | 2D 3D TSV |
26769278 | 57 | The Importance of Being Me: Magic Methyls, Methyltransferase Inhibitors, and the Discovery of Tazemetostat. | J Med Chem 59: 1556-64 (2016) | Epizyme | 2D 3D TSV |
26764191 | 38 | Discovery of potent aryl-substituted 3-[(3-methylpyridine-2-carbonyl) amino]-2,4-dimethyl-benzoic acid EP4 antagonists with improved pharmacokinetic profile. | Bioorg Med Chem Lett 26: 931-5 (2016) | Eli Lilly and Company | 2D 3D TSV |
26764190 | 4 | Peptide-based inhibitors of protein-protein interactions. | Bioorg Med Chem Lett 26: 707-13 (2016) | Wroclaw University of Technology | 2D 3D TSV |
26762836 | 16 | Hydroxylated chalcones with dual properties: Xanthine oxidase inhibitors and radical scavengers. | Bioorg Med Chem 24: 578-87 (2016) | Northern Kentucky University | 2D 3D TSV |
26762835 | 342 | Discovery of 2-(1H-indol-5-ylamino)-6-(2,4-difluorophenylsulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one (7ao) as a potent selective inhibitor of Polo like kinase 2 (PLK2). | Bioorg Med Chem 24: 521-44 (2016) | Icahn School of Medicine at Mount Sinai | 2D 3D TSV |
26761776 | 62 | Discovery and SAR of N-(1-((substituted piperidin-4-yl)methyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide derivatives: 5-Hydroxytryptamine receptor 4 agonist as a potent prokinetic agent. | Eur J Med Chem 109: 75-88 (2016) | Sungkyunkwan University | 2D 3D TSV |
26757340 | 34 | Indole Based Weapons to Fight Antibiotic Resistance: A Structure-Activity Relationship Study. | J Med Chem 59: 867-91 (2016) | University of Perugia | 2D 3D TSV |
26756468 | 44 | Discovery of Novel Adenosine Receptor Agonists That Exhibit Subtype Selectivity. | J Med Chem 59: 947-64 (2016) | University of Warwick | 2D 3D TSV |
26756351 | 1 | Targeting the Bacterial Division Protein FtsZ. | J Med Chem 59: 6975-98 (2016) | University of Wisconsin-Madison | 2D 3D TSV |
26756222 | 70 | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. | J Med Chem 59: 2005-24 (2016) | Pfizer Inc | 2D 3D TSV |
26756097 | 56 | Investigations on the 4-Quinolone-3-carboxylic Acid Motif. 7. Synthesis and Pharmacological Evaluation of 4-Quinolone-3-carboxamides and 4-Hydroxy-2-quinolone-3-carboxamides as High Affinity Cannabinoid Receptor 2 (CB2R) Ligands with Improved Aqueous Solubility. | J Med Chem 59: 1052-67 (2016) | Universit£ degli Studi di Siena | 2D 3D TSV |
26755394 | 14 | Identification of benzothiophene amides as potent inhibitors of human nicotinamide phosphoribosyltransferase. | Bioorg Med Chem Lett 26: 765-8 (2016) | Second Military Medical University | 2D 3D TSV |
26755393 | 1 | Synthesis, in vitro antimycobacterial evaluation and docking studies of some new 5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one schiff bases. | Bioorg Med Chem Lett 26: 836-40 (2016) | University College of Pharmaceutical Sciences | 2D 3D TSV |
26754613 | 10 | One-pot green synthesis of 1,3,5-triarylpentane-1,5-dione and triarylmethane derivatives as a new class of tyrosinase inhibitors. | Bioorg Med Chem Lett 26: 795-8 (2016) | Jiangnan University | 2D 3D TSV |
26753816 | 8 | Synthesis and biological evaluation of novel 5-hydroxylaminoisoxazole derivatives as lipoxygenase inhibitors and metabolism enhancing agents. | Bioorg Med Chem 24: 712-20 (2016) | Lomonosov Moscow State University | 2D 3D TSV |
26753815 | 81 | Expanding the structural diversity of diarylureas as multi-target tyrosine kinase inhibitors. | Bioorg Med Chem 24: 750-8 (2016) | The First Affiliated Hospital of Xi'an Jiaotong University | 2D 3D TSV |
26753814 | 7 | Cyclic RGD peptidomimetics containing 4- and 5-amino-cyclopropane pipecolic acid (CPA) templates as dualaVß3 anda5ß1 integrin ligands. | Bioorg Med Chem 24: 703-11 (2016) | University of Florence | 2D 3D TSV |
26753813 | 22 | Design and synthesis of an activity-based protein profiling probe derived from cinnamic hydroxamic acid. | Bioorg Med Chem 24: 686-92 (2016) | University of Minnesota | 2D 3D TSV |
26752095 | 12 | Design and synthesis of calindol derivatives as potent and selective calcium sensing receptor agonists. | Bioorg Med Chem 24: 554-69 (2016) | CNRS | 2D 3D TSV |
26752094 | 39 | Design, synthesis and evaluation of novel 7-aminoalkyl-substituted flavonoid derivatives with improved cholinesterase inhibitory activities. | Bioorg Med Chem 24: 672-80 (2016) | Henan University | 2D 3D TSV |
26751273 | 92 | Discovery of Tetrahydropyrazolopyridine as Sphingosine 1-Phosphate Receptor 3 (S1P3)-Sparing S1P1 Agonists Active at Low Oral Doses. | J Med Chem 59: 1003-20 (2016) | GlaxoSmithKline | 2D 3D TSV |
26750258 | 67 | TRPA1 channels as targets for resveratrol and related stilbenoids. | Bioorg Med Chem Lett 26: 899-902 (2016) | Sapienza University of Rome | 2D 3D TSV |
26750254 | 7 | Role of the phenolic OH moiety of GluN2B-selective NMDA antagonists with 3-benzazepine scaffold. | Bioorg Med Chem Lett 26: 889-93 (2016) | Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster | 2D 3D TSV |
26750253 | 1 | Amides of non-steroidal anti-inflammatory drugs with thiomorpholine can yield hypolipidemic agents with improved anti-inflammatory activity. | Bioorg Med Chem Lett 26: 910-3 (2016) | Aristotelian University of Thessaloniki | 2D 3D TSV |
26750251 | 44 | 2-Amino-4-bis(aryloxybenzyl)aminobutanoic acids: A novel scaffold for inhibition of ASCT2-mediated glutamine transport. | Bioorg Med Chem Lett 26: 1044-7 (2016) | Vanderbilt University Medical Center | 2D 3D TSV |
26750250 | 5 | Enantiomeric 3-deaza-1',6'-isoneplanocin and its 3-bromo analogue: Synthesis by the Ullmann reaction and their antiviral properties. | Bioorg Med Chem Lett 26: 928-30 (2016) | Auburn University | 2D 3D TSV |
26748694 | 44 | The influence of 5-HT(2A) activity on a 5-HT(2C) specific in vivo assay used for early identification of multiple acting SERT and 5-HT(2C) receptor ligands. | Bioorg Med Chem Lett 26: 914-20 (2016) | Gedeon Richter Plc | 2D 3D TSV |
26747393 | 4 | Discovery and preclinical evaluation of potent, orally bioavailable, metabolically stable cyclopropylindolobenzazepine acylsulfonamides as thumb site 1 inhibitors of the hepatitis c virus NS5B RNA-dependent, RNA polymerase. | Bioorg Med Chem Lett 26: 936-40 (2016) | Bristol-Myers Squibb Pharmaceutical Research and Development | 2D 3D TSV |
26745812 | 8 | Arylpiperidines as a new class of oxidosqualene cyclase inhibitors. | Eur J Med Chem 109: 13-22 (2016) | Ludwig-Maximilians University | 2D 3D TSV |
26745766 | 20 | Development of Autotaxin Inhibitors: An Overview of the Patent and Primary Literature. | J Med Chem 59: 5604-21 (2016) | University of Strathclyde | 2D 3D TSV |
26744768 | 4 | Mechanism of the Flavoprotein l-Hydroxynicotine Oxidase: Kinetic Mechanism, Substrate Specificity, Reaction Product, and Roles of Active-Site Residues. | Biochemistry 55: 697-703 (2016) | University of Texas at San Antonio | 2D 3D TSV |
26744767 | 2 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). | J Med Chem 59: 892-913 (2016) | University of Michigan | 2D 3D TSV |
26741947 | 24 | The Rational Design of Selective Benzoxazepin Inhibitors of thea-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). | J Med Chem 59: 985-1002 (2016) | Genentech | 2D 3D TSV |
26741855 | 65 | Flexible analogues of WAY-267,464: Synthesis and pharmacology at the human oxytocin and vasopressin 1a receptors. | Eur J Med Chem 108: 730-40 (2016) | The University of Sydney | 2D 3D TSV |
26741853 | 95 | Synthesis, biological evaluation and molecular modeling of a novel series of 7-azaindole based tri-heterocyclic compounds as potent CDK2/Cyclin E inhibitors. | Eur J Med Chem 108: 701-19 (2016) | University of Tours | 2D 3D TSV |
26741358 | 56 | Design, synthesis and biological evaluation of N-phenylquinazolin-4-amine hybrids as dual inhibitors of VEGFR-2 and HDAC. | Eur J Med Chem 109: 1-12 (2016) | China Pharmaceutical University | 2D 3D TSV |
26741168 | 239 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. | J Med Chem 59: 1388-409 (2016) | The Institute of Cancer Research | 2D 3D TSV |
26741166 | 105 | Discovery of (3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone (AZD1979), a Melanin Concentrating Hormone Receptor 1 (MCHr1) Antagonist with Favorable Physicochemical Properties. | J Med Chem 59: 2497-511 (2016) | AstraZeneca | 2D 3D TSV |
26741028 | 100 | 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. | J Med Chem 59: 721-32 (2016) | Universit£ de Reims Champagne-Ardenne | 2D 3D TSV |
26740154 | 4 | Illuminating the binding interactions of galactonoamidines during the inhibition ofß-galactosidase (E. coli). | Bioorg Med Chem 24: 661-71 (2016) | University of Arkansas | 2D 3D TSV |
26739781 | 237 | Receptor binding profiles and quantitative structure-affinity relationships of some 5-substituted-N,N-diallyltryptamines. | Bioorg Med Chem Lett 26: 959-64 (2016) | The Alexander Shulgin Research Institute | 2D 3D TSV |
26739779 | 15 | Discovery of EBI-907: A highly potent and orally active B-Raf(V600E) inhibitor for the treatment of melanoma and associated cancers. | Bioorg Med Chem Lett 26: 819-23 (2016) | Shanghai Hengrui Pharmaceutical Co., Ltd | 2D 3D TSV |
26736071 | 79 | Melanin-Concentrating Hormone Receptor 1 Antagonists Lacking an Aliphatic Amine: Synthesis and Structure-Activity Relationships of Novel 1-(Imidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one Derivatives. | J Med Chem 59: 1116-39 (2016) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26735910 | 23 | Cardanol-derived AChE inhibitors: Towards the development of dual binding derivatives for Alzheimer's disease. | Eur J Med Chem 108: 687-700 (2016) | University of Bras£lia | 2D 3D TSV |
26735842 | 27 | Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins. | J Med Chem 59: 1634-41 (2016) | Centre National de la Recherche Scientifique (CNRS) | 2D 3D TSV |
26734723 | 40 | Optimization of a Dicarboxylic Series for in Vivo Inhibition of Citrate Transport by the Solute Carrier 13 (SLC13) Family. | J Med Chem 59: 1165-75 (2016) | Pfizer Inc | 2D 3D TSV |
26733474 | 5 | Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay. | Bioorg Med Chem Lett 26: 955-8 (2016) | Osaka Prefecture University | 2D 3D TSV |
26732532 | 69 | Active site-directed plasmin inhibitors: Extension on the P2 residue. | Bioorg Med Chem 24: 545-53 (2016) | Kobe Gakuin University | 2D 3D TSV |
26731611 | 30 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). | J Med Chem 59: 1518-30 (2016) | Albert-Ludwigs-University of Freiburg | 2D 3D TSV |
26731490 | 99 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation. | J Med Chem 59: 1565-79 (2016) | Guangzhou Institutes of Biomedicine and Health | 2D 3D TSV |
26731300 | 3 | Amorfrutin C Induces Apoptosis and Inhibits Proliferation in Colon Cancer Cells through Targeting Mitochondria. | J Nat Prod 79: 2-12 (2016) | Max Planck Institute for Molecular Genetics | 2D 3D TSV |
26731168 | 39 | Benzamide derivatives and their constrained analogs as histamine H3 receptor antagonists. | Eur J Med Chem 108: 655-62 (2016) | Suven Life Sciences Ltd | 2D 3D TSV |
26731167 | 32 | Discovery of 2-(2-aminopyrimidin-5-yl)-4-morpholino-N-(pyridin-3-yl)quinazolin-7-amines as novel PI3K/mTOR inhibitors and anticancer agents. | Eur J Med Chem 108: 644-54 (2016) | Sun Yat-sen University | 2D 3D TSV |
26731131 | 2 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. | J Med Chem 59: 1648-53 (2016) | University of Oxford | 2D 3D TSV |
26730808 | 18 | A FRET-Based Assay for the Identification and Characterization of Cereblon Ligands. | J Med Chem 59: 770-4 (2016) | Max Planck Institute for Developmental Biology | 2D 3D TSV |
26727270 | 14 | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. | J Med Chem 59: 592-608 (2016) | University of Maryland | 2D 3D TSV |
26725951 | 46 | Discovery of highly potent dual EP(2) and EP(3) agonists with subtype selectivity. | Bioorg Med Chem Lett 26: 1016-9 (2016) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
26725028 | 11 | Benzylamide antagonists of protease activated receptor 2 with anti-inflammatory activity. | Bioorg Med Chem Lett 26: 986-91 (2016) | The University of Queensland | 2D 3D TSV |
26724730 | 12 | Design and synthesis of new imidazo[1,2-a]pyridine and imidazo[1,2-a]pyrazine derivatives with antiproliferative activity against melanoma cells. | Eur J Med Chem 108: 623-43 (2016) | Semmelweis University | 2D 3D TSV |
26723530 | 68 | Improving selectivity of dopamine D3 receptor ligands. | Bioorg Med Chem Lett 26: 885-8 (2016) | Bioprojet-Biotech | 2D 3D TSV |
26722818 | 11 | Inhibition of guinea pig aldehyde oxidase activity by different flavonoid compounds: An in vitro study. | Bioorg Chem 64: 74-84 (2016) | Kermanshah University of Medical Sciences | 2D 3D TSV |
26720154 | 32 | (E)-1,3-diphenyl-1H-pyrazole derivatives containing O-benzyl oxime moiety as potential immunosuppressive agents: Design, synthesis, molecular docking and biological evaluation. | Eur J Med Chem 108: 586-93 (2016) | Anhui Agricultural University | 2D 3D TSV |
26719209 | 7 | Structural insights into mechanisms for inhibiting amyloidß42 aggregation by non-catechol-type flavonoids. | Bioorg Med Chem 24: 304-13 (2016) | Kyoto University | 2D 3D TSV |
26718844 | 55 | 2,4-Diaminopyrimidines as dual ligands at the histamine H1 and H4 receptor-H1/H4-receptor selectivity. | Bioorg Med Chem Lett 26: 292-300 (2016) | Friedrich-Alexander-Universit£t Erlangen-N£rnberg | 2D 3D TSV |
26717207 | 14 | Development of sigma-1 (s1) receptor fluorescent ligands as versatile tools to studys1 receptors. | Eur J Med Chem 108: 577-85 (2016) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
26717206 | 64 | O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1. | Eur J Med Chem 108: 564-76 (2016) | Bryn Mawr College | 2D 3D TSV |
26717204 | 17 | Drug design, synthesis, in vitro and in silico evaluation of selective monoaminoxidase B inhibitors based on 3-acetyl-2-dichlorophenyl-5-aryl-2,3-dihydro-1,3,4-oxadiazole chemical scaffold. | Eur J Med Chem 108: 542-52 (2016) | Universit£ degli Studi di Cagliari | 2D 3D TSV |
26717203 | 129 | 5,7-Disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazines as pharmacological tools to explore the antagonist selectivity profiles toward adenosine receptors. | Eur J Med Chem 108: 529-41 (2016) | Universit£ di Trieste | 2D 3D TSV |
26717202 | 61 | Development of CINPA1 analogs as novel and potent inverse agonists of constitutive androstane receptor. | Eur J Med Chem 108: 505-28 (2016) | St. Jude Children's Research Hospital | 2D 3D TSV |
26717201 | 68 | Recent advances in the development of dual VEGFR and c-Met small molecule inhibitors as anticancer drugs. | Eur J Med Chem 108: 495-504 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26717022 | 13 | Design, synthesis and in-vitro evaluation of novel tetrahydroquinoline carbamates as HIV-1 RT inhibitor and their antifungal activity. | Bioorg Chem 64: 66-73 (2016) | Birla Institute of Technology | 2D 3D TSV |
26713112 | 36 | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. | ACS Med Chem Lett 6: 1241-6 (2015) | Genentech | 2D 3D TSV |
26713111 | 7 | Affinity-Based Fluorescence Polarization Assay for High-Throughput Screening of Prolyl Hydroxylase 2 Inhibitors. | ACS Med Chem Lett 6: 1236-40 (2015) | China Pharmaceutical University | 2D 3D TSV |
26713109 | 6 | Structure-Activity Study of Bioisosteric Trifluoromethyl and Pentafluorosulfanyl Indole Inhibitors of the AAA ATPase p97. | ACS Med Chem Lett 6: 1225-30 (2015) | University of Pittsburgh | 2D 3D TSV |
26713107 | 11 | 4(5)-Aryl-2-C-glucopyranosyl-imidazoles as New Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase. | ACS Med Chem Lett 6: 1215-9 (2015) | University of Debrecen | 2D 3D TSV |
26713106 | 59 | Dual Alleviation of Acute and Neuropathic Pain by Fused Opioid Agonist-Neurokinin 1 Antagonist Peptidomimetics. | ACS Med Chem Lett 6: 1209-14 (2015) | Vrije Universiteit Brussel | 2D 3D TSV |
26713104 | 24 | Rapid Synthesis of Boc-2',6'-dimethyl-l-tyrosine and Derivatives and Incorporation into Opioid Peptidomimetics. | ACS Med Chem Lett 6: 1199-203 (2015) | University of Michigan | 2D 3D TSV |
26713103 | 7 | Potent Triazole Bisphosphonate Inhibitor of Geranylgeranyl Diphosphate Synthase. | ACS Med Chem Lett 6: 1195-8 (2015) | University of Iowa | 2D 3D TSV |
26713102 | 36 | Discovery of Novel and Orally Bioavailable Inhibitors of PI3 Kinase Based on Indazole Substituted Morpholino-Triazines. | ACS Med Chem Lett 6: 1190-4 (2015) | Sphaera Pharma Pte. Ltd | 2D 3D TSV |
26713099 | 10 | Inhibitors of the Antiapoptotic Myeloid Cell Leukemia-1 (Mcl-1) May Provide Effective Treatment for Cancer. | ACS Med Chem Lett 6: 1171-3 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26713098 | 14 | Sulfonamide Compounds as Voltage Gated Sodium Channel Modulators. | ACS Med Chem Lett 6: 1168-70 (2015) | Temple University | 2D 3D TSV |
26712115 | 36 | Design synthesis and structure-activity relationship of 5-substituted (tetrahydronaphthalen-2yl)methyl with N-phenyl-N-(piperidin-2-yl)propionamide derivatives as opioid ligands. | Bioorg Med Chem 24: 85-91 (2016) | University of Arizona | 2D 3D TSV |
26712096 | 3 | 9-Benzoyl 9-deazaguanines as potent xanthine oxidase inhibitors. | Bioorg Med Chem 24: 226-31 (2016) | Universidade Estadual de Campinas | 2D 3D TSV |
26711151 | 46 | Diarylthiophenes as inhibitors of the pore-forming protein perforin. | Bioorg Med Chem Lett 26: 355-60 (2016) | University of Auckland | 2D 3D TSV |
26711145 | 24 | Structure-based design, synthesis, and biological evaluation of Leu-Arg dipeptide analogs as novel hepsin inhibitors. | Bioorg Med Chem Lett 26: 310-4 (2016) | Korea University | 2D 3D TSV |
26711144 | 4 | A dimeric urea of the bisabolene sesquiterpene from the Okinawan marine sponge Axinyssa sp. inhibits protein tyrosine phosphatase 1B activity in Huh-7 human hepatoma cells. | Bioorg Med Chem Lett 26: 315-7 (2016) | Tohoku Pharmaceutical University | 2D 3D TSV |
26710088 | 248 | Recent Progress in Histone Demethylase Inhibitors. | J Med Chem 59: 1308-29 (2016) | University of Oxford | 2D 3D TSV |
26709102 | 142 | Discovery of Vibegron: A Potent and Selectiveß3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder. | J Med Chem 59: 609-23 (2016) | Merck Research Laboratories | 2D 3D TSV |
26708113 | 33 | Exploring the role of chloro and methyl substitutions in 2-phenylthiomethyl-benzoindole derivatives for 5-LOX enzyme inhibition. | Eur J Med Chem 108: 466-75 (2016) | Second University of Naples | 2D 3D TSV |
26708112 | 22 | Efavirenz a nonnucleoside reverse transcriptase inhibitor of first-generation: Approaches based on its medicinal chemistry. | Eur J Med Chem 108: 455-65 (2016) | Instituto de Tecnologia em F£rmacos | 2D 3D TSV |
26708111 | 41 | Glucose-derived spiro-isoxazolines are anti-hyperglycemic agents against type 2 diabetes through glycogen phosphorylase inhibition. | Eur J Med Chem 108: 444-54 (2016) | Universit£ Claude Bernard Lyon 1 | 2D 3D TSV |
26708110 | 5 | Inhibitory effect of phenothiazine- and phenoxazine-derived chloroacetamides on Leishmania major growth and Trypanosoma brucei trypanothione reductase. | Eur J Med Chem 108: 436-43 (2016) | University of Wuerzburg | 2D 3D TSV |
26708109 | 10 | Design and synthesis of novel Y-shaped barbituric acid derivatives as PPAR¿ activators. | Eur J Med Chem 108: 423-35 (2016) | National Institute of Pharmaceutical Education and Research (NIPER) | 2D 3D TSV |
26707845 | 16 | Synthesis of 5-trifluoromethyl-2-sulfonylpyridine PPARß/d antagonists: Effects on the affinity and selectivity towards PPARß/d. | Bioorg Med Chem 24: 247-60 (2016) | University of Oslo | 2D 3D TSV |
26707842 | 8 | Design, synthesis and evaluation of bitopic arylpiperazinephenyl-1,2,4-oxadiazoles as preferential dopamine D3 receptor ligands. | Bioorg Med Chem 24: 191-200 (2016) | Chonnam National University | 2D 3D TSV |
26707399 | 45 | Preclinical characterization of substituted 6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one P2X7 receptor antagonists. | Bioorg Med Chem Lett 26: 257-61 (2016) | Janssen Research and Development LLC | 2D 3D TSV |
26707398 | 2 | Characterization of isobutylhydroxyamides with NGF-potentiating activity from Zanthoxylum bungeanum. | Bioorg Med Chem Lett 26: 338-42 (2016) | Northwest A & F University | 2D 3D TSV |
26706352 | 2 | Bis-isatin hydrazones with novel linkers: Synthesis and biological evaluation as cytotoxic agents. | Eur J Med Chem 108: 415-22 (2016) | Egyptian Russian University | 2D 3D TSV |
26706350 | 48 | Modification of the anabaseine pyridine nucleus allows achieving binding and functional selectivity for thea3ß4 nicotinic acetylcholine receptor subtype. | Eur J Med Chem 108: 392-405 (2016) | Universit£ degli Studi di Milano | 2D 3D TSV |
26706349 | 12 | Synthesis and pharmacological evaluation of dehydroabietic acid thiourea derivatives containing bisphosphonate moiety as an inducer of apoptosis. | Eur J Med Chem 108: 381-91 (2016) | Southeast University | 2D 3D TSV |
26706177 | 136 | Straightforward and effective synthesis of¿-aminobutyric acid transporter subtype 2-selective acyl-substituted azaspiro[4.5]decanes. | Bioorg Med Chem Lett 26: 417-23 (2016) | Universit£ Catholique de Louvain | 2D 3D TSV |
26706174 | 46 | Development and structural analysis of adenosine site binding tankyrase inhibitors. | Bioorg Med Chem Lett 26: 328-33 (2016) | University of Oulu | 2D 3D TSV |
26706173 | 13 | 7TM X-ray structures for class C GPCRs as new drug-discovery tools. 1. mGluR5. | Bioorg Med Chem Lett 26: 484-94 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26706172 | 21 | a-Aryl pyrrolidine sulfonamides as TRPA1 antagonists. | Bioorg Med Chem Lett 26: 495-8 (2016) | Genentech | 2D 3D TSV |
26706171 | 138 | Novel thiol-based histone deacetylase inhibitors bearing 3-phenyl-1H-pyrazole-5-carboxamide scaffold as surface recognition motif: Design, synthesis and SAR study. | Bioorg Med Chem Lett 26: 375-9 (2016) | Shenyang Pharmaceutical University | 2D 3D TSV |
26706114 | 19 | 8-Hydroxyquinoline-based inhibitors of the Rce1 protease disrupt Ras membrane localization in human cells. | Bioorg Med Chem 24: 160-78 (2016) | New York University Abu Dhabi | 2D 3D TSV |
26706113 | 10 | Combination of 4-anilinoquinazoline, arylurea and tertiary amine moiety to discover novel anticancer agents. | Bioorg Med Chem 24: 179-90 (2016) | Xi'an Jiaotong University | 2D 3D TSV |
26706112 | 40 | Highly potent tyrosinase inhibitor, neorauflavane from Campylotropis hirtella and inhibitory mechanism with molecular docking. | Bioorg Med Chem 24: 153-9 (2016) | Gyeongsang National University | 2D 3D TSV |
26706111 | 72 | N-Alkylated arylsulfonamides of (aryloxy)ethyl piperidines: 5-HT(7) receptor selectivity versus multireceptor profile. | Bioorg Med Chem 24: 130-9 (2016) | Jagiellonian University Medical College | 2D 3D TSV |
26705137 | 31 | Design, Synthesis, and Pharmacological Evaluation of Novel N-Acylhydrazone Derivatives as Potent Histone Deacetylase 6/8 Dual Inhibitors. | J Med Chem 59: 655-70 (2016) | Universidade Federal de Alfenas | 2D 3D TSV |
26704965 | 229 | Further Advances in Optimizing (2-Phenylcyclopropyl)methylamines as Novel Serotonin 2C Agonists: Effects on Hyperlocomotion, Prepulse Inhibition, and Cognition Models. | J Med Chem 59: 578-91 (2016) | University of Illinois at Chicago | 2D 3D TSV |
26704267 | 35 | Discovery of potent and orally bioavailable inhibitors of Human Uric Acid Transporter 1 (hURAT1) and binding mode prediction using homology model. | Bioorg Med Chem Lett 26: 277-82 (2016) | Shanghai Hengrui Pharmaceutical Co., Ltd | 2D 3D TSV |
26704266 | 80 | Novel phenylalanine derived diamides as Factor XIa inhibitors. | Bioorg Med Chem Lett 26: 472-8 (2016) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26704265 | 49 | Novel compounds reducing IRS-1 serine phosphorylation for treatment of diabetes. | Bioorg Med Chem Lett 26: 424-8 (2016) | Semmelweis University | 2D 3D TSV |
26704264 | 10 | Fragment-based drug discovery of potent and selective MKK3/6 inhibitors. | Bioorg Med Chem Lett 26: 1086-9 (2016) | Takeda California Inc | 2D 3D TSV |
26704263 | 17 | Novel chromenedione derivatives displaying inhibition of protein tyrosine phosphatase 1B (PTP1B) from Flemingia philippinensis. | Bioorg Med Chem Lett 26: 318-21 (2016) | Qiqihar University | 2D 3D TSV |
26702542 | 59 | Discovery of a Novel Inhibitor of Histone Lysine-Specific Demethylase 1A (KDM1A/LSD1) as Orally Active Antitumor Agent. | J Med Chem 59: 1501-17 (2016) | European Institute of Oncology | 2D 3D TSV |
26702435 | 6 | Selective targeting of the BRG/PB1 bromodomains impairs embryonic and trophoblast stem cell maintenance. | Sci Adv 1: (2015) | University of Oxford | 2D 3D TSV |
26701387 | 16 | Benzobisthiazoles Represent a Novel Scaffold for Kinase Inhibitors of CLK Family Members. | Biochemistry 55: 608-17 (2016) | University College London | 2D 3D TSV |
26701356 | 100 | Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors. | J Med Chem 59: 733-49 (2016) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26701186 | 50 | KATching-Up on Small Molecule Modulators of Lysine Acetyltransferases. | J Med Chem 59: 1249-70 (2016) | University of Freiburg | 2D 3D TSV |
26700945 | 68 | Structure-Based Discovery of Novel and Selective 5-Hydroxytryptamine 2B Receptor Antagonists for the Treatment of Irritable Bowel Syndrome. | J Med Chem 59: 707-20 (2016) | National Institute of Biological Sciences, Beijing | 2D 3D TSV |
26700752 | 46 | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. | J Med Chem 59: 671-86 (2016) | ARIAD Pharmaceuticals Inc | 2D 3D TSV |
26700575 | 14 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. | J Med Chem 59: 4245-56 (2016) | Istituto Italiano di Tecnologia | 2D 3D TSV |
26700437 | 32 | Identification of SNAIL1 Peptide-Based Irreversible Lysine-Specific Demethylase 1-Selective Inactivators. | J Med Chem 59: 1531-44 (2016) | Kyoto Prefectural University of Medicine | 2D 3D TSV |
26699912 | 108 | Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors. | J Med Chem 59: 1580-98 (2016) | University of Oxford | 2D 3D TSV |
26698537 | 93 | Towards new 5-HT7 antagonists among arylsulfonamide derivatives of (aryloxy)ethyl-alkyl amines: Multiobjective based design, synthesis, and antidepressant and anxiolytic properties. | Eur J Med Chem 108: 334-46 (2016) | Jagiellonian University Medical College | 2D 3D TSV |
26698536 | 56 | Pyridazinone derivatives displaying highly potent and selective inhibitory activities against c-Met tyrosine kinase. | Eur J Med Chem 108: 322-33 (2016) | Chinese Academy of Sciences | 2D 3D TSV |
26696402 | 49 | Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study. | J Med Chem 59: 1599-612 (2016) | Albert-Ludwigs-University of Freiburg | 2D 3D TSV |
26696252 | 32 | Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3ß Inhibitors. | J Med Chem 59: 531-44 (2016) | Alma Mater Studiorum-University of Bologna | 2D 3D TSV |
26693272 | 56 | SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1. | ACS Med Chem Lett 6: 1184-1189 (2015) | University of Washington | 2D 3D TSV |
26691758 | 160 | Sulfonamide inhibition studies of thea-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2, TcruCA. | Bioorg Med Chem Lett 26: 401-5 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26691756 | 38 | Synthesis, cyclooxygenase inhibition, anti-inflammatory evaluation and ulcerogenic liability of new 1,3,5-triarylpyrazoline and 1,5-diarylpyrazole derivatives as selective COX-2 inhibitors. | Bioorg Med Chem Lett 26: 406-12 (2016) | Beni-Suef University | 2D 3D TSV |
26691755 | 19 | Identifying New Drug Targets for Potent Phospholipase D Inhibitors: Combining Sequence Alignment, Molecular Docking, and Enzyme Activity/Binding Assays. | Chem Biol Drug Des 87: 714-29 (2016) | Roxbury Community College | 2D 3D TSV |
26690914 | 22 | Chlorophenoxy aminoalkyl derivatives as histamine H(3)R ligands and antiseizure agents. | Bioorg Med Chem 24: 53-72 (2016) | Jagiellonian University Medical College | 2D 3D TSV |
26690913 | 54 | Molecular modeling studies, synthesis and biological evaluation of dabigatran analogues as thrombin inhibitors. | Bioorg Med Chem 24: 73-84 (2016) | Shanghai Institute of Technology | 2D 3D TSV |
26689671 | 21 | Recent Progress in the Discovery of Next Generation Inhibitors of Aromatase from the Structure-Function Perspective. | J Med Chem 59: 5131-48 (2016) | State University of New York Upstate Medical University | 2D 3D TSV |
26689485 | 18 | Orally available stilbene derivatives as potent HDAC inhibitors with antiproliferative activities and antitumor effects in human tumor xenografts. | Eur J Med Chem 108: 274-86 (2016) | Orchid Chemicals & Pharmaceuticals Ltd | 2D 3D TSV |
26688270 | 104 | Thioxocoumarins Show an Alternative Carbonic Anhydrase Inhibition Mechanism Compared to Coumarins. | J Med Chem 59: 462-73 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26687487 | 69 | Late-stage optimization of a tercyclic class of S1P3-sparing, S1P1 receptor agonists. | Bioorg Med Chem Lett 26: 466-71 (2016) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
26686773 | 24 | Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity. | ACS Chem Biol 11: 1001-11 (2016) | German Cancer Research Center (DKFZ) | 2D 3D TSV |
26685880 | 35 | Specific Inhibitors of HIV Capsid Assembly Binding to the C-Terminal Domain of the Capsid Protein: Evaluation of 2-Arylquinazolines as Potential Antiviral Compounds. | J Med Chem 59: 545-58 (2016) | Charles University | 2D 3D TSV |
26685731 | 33 | Structure-Activity Relationship of Azaindole-Based Glucokinase Activators. | J Med Chem 59: 687-706 (2016) | Servier Research Institute of Medicinal Chemistry | 2D 3D TSV |
26685080 | 6 | Rapid Identification of Novel Inhibitors of the Human Aquaporin-1 Water Channel. | Chem Biol Drug Des 87: 794-805 (2016) | Novartis Institutes of Biomedical Research Institute | 2D 3D TSV |
26684851 | 86 | Preliminary investigation of 6,7-dihydropyrazolo[1,5-a]pyrazin-4-one derivatives as a novel series of mGlu5 receptor positive allosteric modulators with efficacy in preclinical models of schizophrenia. | Bioorg Med Chem Lett 26: 429-34 (2016) | Janssen Pharmaceutica NV | 2D 3D TSV |
26684482 | 20 | Evaluation of Natural and Synthetic 1,4-naphthoquinones as Inhibitors of Monoamine Oxidase. | Chem Biol Drug Des 87: 737-46 (2016) | North-West University | 2D 3D TSV |
26683992 | 25 | 2-Chloro-4-[[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile: A Transdermal Selective Androgen Receptor Modulator (SARM) for Muscle Atrophy. | J Med Chem 59: 750-5 (2016) | Eli Lilly and Company | 2D 3D TSV |
26682703 | 30 | Fluorescent sulfonamide carbonic anhydrase inhibitors incorporating 1,2,3-triazole moieties: Kinetic and X-ray crystallographic studies. | Bioorg Med Chem 24: 104-12 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26682034 | 229 | Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. | Medchemcomm 5: 1879-1886 (2014) | University of Oxford | 2D 3D TSV |
26682033 | 30 | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. | Medchemcomm 4: 140-144 (2013) | University of Oxford | 2D 3D TSV |
26681511 | 33 | Preparation and optimization of pyrazolo[1,5-a]pyrimidines as new potent PDE4 inhibitors. | Bioorg Med Chem Lett 26: 454-9 (2016) | Sanofi Research Center | 2D 3D TSV |
26681404 | 40 | Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors. | J Med Chem 59: 1613-33 (2016) | Washington University | 2D 3D TSV |
26681208 | 21 | Selective Human Estrogen Receptor Partial Agonists (ShERPAs) for Tamoxifen-Resistant Breast Cancer. | J Med Chem 59: 219-37 (2016) | University of Illinois at Chicago | 2D 3D TSV |
26678175 | 26 | Replacement of cardiotoxic aminopiperidine linker with piperazine moiety reduces cardiotoxicity? Mycobacterium tuberculosis novel bacterial topoisomerase inhibitors. | Bioorg Med Chem 24: 42-52 (2016) | Birla Institute of Technology & Science-Pilani | 2D 3D TSV |
26678172 | 70 | Inhibition of carbonic anhydrase isoforms I, II, IV, VII and XII with carboxylates and sulfonamides incorporating phthalimide/phthalic anhydride scaffolds. | Bioorg Med Chem 24: 20-5 (2016) | King Saud University | 2D 3D TSV |
26675441 | 46 | Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability. | Bioorg Med Chem Lett 26: 575-9 (2016) | Genentech | 2D 3D TSV |
26673461 | 53 | Design of High-Affinity Stapled Peptides To Target the Repressor Activator Protein 1 (RAP1)/Telomeric Repeat-Binding Factor 2 (TRF2) Protein-Protein Interaction in the Shelterin Complex. | J Med Chem 59: 328-34 (2016) | University of Michigan | 2D 3D TSV |
26670841 | 8 | Synthesis, in vitro antitumor activity, dihydrofolate reductase inhibition, DNA intercalation and structure-activity relationship studies of 1,3,5-triazine analogues. | Bioorg Med Chem Lett 26: 518-23 (2016) | Thapar University | 2D 3D TSV |
26670264 | 73 | Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV. | J Med Chem 59: 374-87 (2016) | Latvian Institute of Organic Synthesis | 2D 3D TSV |
26670081 | 14 | Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities. | Chem Biol 22: 1588-96 (2015) | Pfizer Inc | 2D 3D TSV |
26669707 | 22 | Discovery of 1,3-Diaryl-pyridones as Potent VEGFR-2 Inhibitors: Design, Synthesis, and Biological Evaluation. | Chem Biol Drug Des 87: 694-703 (2016) | East China University of Science & Technology | 2D 3D TSV |
26656913 | 85 | Multitarget opioid ligands in pain relief: New players in an old game. | Eur J Med Chem 108: 211-28 (2016) | University of Catania | 2D 3D TSV |
26654469 | 5 | Targeting quorum sensing by designing azoline derivatives to inhibit the N-hexanoyl homoserine lactone-receptor CviR: Synthesis as well as biological and theoretical evaluations. | Bioorg Med Chem 23: 7565-77 (2015) | Instituto Polit£cnico Nacional (IPN) | 2D 3D TSV |
26654202 | 99 | Molecular Mechanism of Action of Triazolobenzodiazepinone Agonists of the Type 1 Cholecystokinin Receptor. Possible Cooperativity across the Receptor Homodimeric Complex. | J Med Chem 58: 9562-77 (2015) | Mayo Clinic | 2D 3D TSV |
26653877 | 47 | Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors. | J Med Chem 59: 448-61 (2016) | University of Copenhagen | 2D 3D TSV |
26653735 | 81 | Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis. | J Med Chem 59: 313-27 (2016) | Pfizer Inc | 2D 3D TSV |
26653614 | 36 | Flat SAR of P3-methylsulphonamide based small molecule legumain inhibitors. | Bioorg Med Chem Lett 26: 413-6 (2016) | Queen's University Belfast | 2D 3D TSV |
26653328 | 67 | Synthesis and Biological Investigation of Oxazole Hydroxamates as Highly Selective Histone Deacetylase 6 (HDAC6) Inhibitors. | J Med Chem 59: 1545-55 (2016) | Albert-Ludwigs-University of Freiburg | 2D 3D TSV |
26653180 | 61 | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. | J Med Chem 59: 194-205 (2016) | Eli Lilly and Company | 2D 3D TSV |
26653033 | 27 | Phenyl Benzenesulfonylhydrazides Exhibit Selective Indoleamine 2,3-Dioxygenase Inhibition with Potent in Vivo Pharmacodynamic Activity and Antitumor Efficacy. | J Med Chem 59: 419-30 (2016) | National Health Research Institutes | 2D 3D TSV |
26652969 | 15 | Synthesis and antitumor activity evaluation of PI3K inhibitors containing 3-substituted quinazolin-4(3H)-one moiety. | Bioorg Med Chem 23: 7765-76 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
26652860 | 68 | A Pyrazolo[3,4-d]pyrimidin-4-amine Derivative Containing an Isoxazole Moiety Is a Selective and Potent Inhibitor of RET Gatekeeper Mutants. | J Med Chem 59: 358-73 (2016) | Korea Institute of Science and Technology (KIST) | 2D 3D TSV |
26652717 | 96 | Discovery and Characterization of (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, Talazoparib), a Novel, Highly Potent, and Orally Efficacious Poly(ADP-ribose) Polymerase-1/2 Inhibitor, as an Anticancer Agent. | J Med Chem 59: 335-57 (2016) | BioMarin Pharmaceutical Inc | 2D 3D TSV |
26652482 | 64 | Design, synthesis and biological evaluation of pyrazolyl-nitroimidazole derivatives as potential EGFR/HER-2 kinase inhibitors. | Bioorg Med Chem Lett 26: 677-83 (2016) | Nanjing University | 2D 3D TSV |
26652247 | 60 | 3-(Piperidin-4-ylmethoxy)pyridine Containing Compounds Are Potent Inhibitors of Lysine Specific Demethylase 1. | J Med Chem 59: 253-63 (2016) | Baylor College of Medicine | 2D 3D TSV |
26649766 | 2 | Synthesis and Mechanism Studies of 1,3-Benzoazolyl Substituted Pyrrolo[2,3-b]pyrazine Derivatives as Nonintercalative Topoisomerase II Catalytic Inhibitors. | J Med Chem 59: 238-52 (2016) | Sun Yat-sen University | 2D 3D TSV |
26643220 | 8 | 1,2,3-Triazolyl-4-oxoquinolines: A feasible beginning for promising chemical structures to inhibit oseltamivir-resistant influenza A and B viruses. | Bioorg Med Chem 23: 7777-84 (2015) | Universidade Federal Fluminense | 2D 3D TSV |
26643219 | 69 | Synthesis, structure-activity relationship and biological evaluation of novel arylpiperzines as ?1A/1D-AR subselective antagonists for BPH. | Bioorg Med Chem 23: 7735-42 (2015) | Jinan University | 2D 3D TSV |
26643218 | 23 | Discovery of benzothiazoles as antimycobacterial agents: Synthesis, structure-activity relationships and binding studies with Mycobacterium tuberculosis decaprenylphosphoryl-?-D-ribose 2'-oxidase. | Bioorg Med Chem 23: 7694-710 (2015) | AstraZeneca | 2D 3D TSV |
26642829 | 34 | Synthesis of 4-[2-(3,4-dimethoxybenzyl)cyclopentyl]-1,2-dimethoxybenzene Derivatives and Evaluations of Their Carbonic Anhydrase Isoenzymes Inhibitory Effects. | Chem Biol Drug Des 87: 594-607 (2016) | Atat£rk University | 2D 3D TSV |
26642765 | 18 | Synthesis of a new inhibitor of breast cancer resistance protein with significantly improved pharmacokinetic profiles. | Bioorg Med Chem Lett 26: 551-555 (2016) | Takeda Pharmaceuticals International Co. | 2D 3D TSV |
26642377 | 22 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1. | J Med Chem 59: 282-93 (2016) | National Health Research Institutes | 2D 3D TSV |
26641525 | 6 | Azaphilones from an Acid Mine Extremophile Strain of a Pleurostomophora sp. | J Nat Prod 78: 2917-23 (2015) | Memorial Sloan-Kettering Cancer Center | 2D 3D TSV |
26641132 | 2 | Novel Microtubule-Targeting 7-Deazahypoxanthines Derived from Marine Alkaloid Rigidins with Potent in Vitro and in Vivo Anticancer Activities. | J Med Chem 59: 480-5 (2016) | Texas State University | 2D 3D TSV |
26640981 | 3 | Reinvestigating Old Pharmacophores: Are 4-Aminoquinolines and Tetraoxanes Potential Two-Stage Antimalarials? | J Med Chem 59: 264-81 (2016) | University of Belgrade | 2D 3D TSV |
26640968 | 60 | An Isochemogenic Set of Inhibitors To Define the Therapeutic Potential of Histone Deacetylases in ß-Cell Protection. | ACS Chem Biol 11: 363-74 (2016) | Broad Institute of Harvard and MIT | 2D 3D TSV |
26639764 | 17 | Synthesis and biological activity of diisothiocyanate-derived mercapturic acids. | Bioorg Med Chem Lett 26: 667-71 (2016) | Wroclaw University of Technology | 2D 3D TSV |
26639762 | 55 | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. | Bioorg Med Chem Lett 26: 534-9 (2016) | Genentech | 2D 3D TSV |
26638045 | 58 | Synthesis, experimental evaluation and molecular modelling of hydroxamate derivatives as zinc metalloproteinase inhibitors. | Eur J Med Chem 108: 141-53 (2016) | UiT The Arctic University of Norway | 2D 3D TSV |
26638043 | 66 | Structural refinement of pyrazolo[4,3-d]pyrimidine derivatives to obtain highly potent and selective antagonists for the human A3 adenosine receptor. | Eur J Med Chem 108: 117-33 (2016) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26638042 | 5 | Discovery of novel hybrids of diaryl-1,2,4-triazoles and caffeic acid as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase for cancer therapy. | Eur J Med Chem 108: 89-103 (2016) | China Pharmaceutical University | 2D 3D TSV |
26637946 | 27 | Benzimidazole derivatives as new a-glucosidase inhibitors and in silico studies. | Bioorg Chem 64: 29-36 (2016) | Universiti Teknologi MARA (UiTM) | 2D 3D TSV |
26633734 | 1 | Synthesis and Characterization of 4,11-Diaminoanthra[2,3-b]furan-5,10-diones: Tumor Cell Apoptosis through tNOX-Modulated NAD(+)/NADH Ratio and SIRT1. | J Med Chem 58: 9522-34 (2015) | Gause Institute of New Antibiotics | 2D 3D TSV |
26632965 | 80 | Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents. | J Med Chem 59: 559-77 (2016) | Duke University School of Medicine | 2D 3D TSV |
26632862 | 20 | Synthesis, Biological Evaluation, and Utility of Fluorescent Ligands Targeting theµ-Opioid Receptor. | J Med Chem 58: 9754-67 (2015) | University of Nottingham | 2D 3D TSV |
26632651 | 70 | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography. | J Med Chem 59: 114-31 (2016) | China Pharmaceutical University | 2D 3D TSV |
26631442 | 6 | Synthesis and activity of novel 16-dehydropregnenolone acetate derivatives as inhibitors of type 1 5a-reductase and on cancer cell line SK-LU-1. | Bioorg Med Chem 23: 7535-42 (2015) | Universidad Nacional Aut£noma de M£xico | 2D 3D TSV |
26631441 | 7 | Discovery of 2-aryloxy-4-amino-quinazoline derivatives as novel protease-activated receptor 2 (PAR2) antagonists. | Bioorg Med Chem 23: 7717-27 (2015) | Yonsei University | 2D 3D TSV |
26631440 | 6 | Phenolic group on A-ring is key for dracoflavan B as a selective noncompetitive inhibitor of ?-amylase. | Bioorg Med Chem 23: 7641-9 (2015) | National University of Singapore | 2D 3D TSV |
26631321 | 37 | Discovery and synthesis of cyclohexenyl derivatives as modulators of CC chemokine receptor 2 activity. | Bioorg Med Chem Lett 26: 662-6 (2016) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26631313 | 20 | Design and optimization of selective azaindole amide M1 positive allosteric modulators. | Bioorg Med Chem Lett 26: 650-5 (2016) | Pfizer Inc | 2D 3D TSV |
26630553 | 9 | Discovery of (R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-(dimethylamino)ethanone (CHMFL-FLT3-122) as a Potent and Orally Available FLT3 Kinase Inhibitor for FLT3-ITD Positive Acute Myeloid Leukemia. | J Med Chem 58: 9625-38 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
26630444 | 6 | A Methylene Group on C-2 of 24,24-Difluoro-19-nor-1a,25-dihydroxyvitamin D3 Markedly Increases Bone Calcium Mobilization in Vivo. | J Med Chem 58: 9731-41 (2015) | University of Wisconsin-Madison | 2D 3D TSV |
26629860 | 58 | Synthesis, biological characterization and molecular modeling insights of spirochromanes as potent HDAC inhibitors. | Eur J Med Chem 108: 53-67 (2016) | European Institute of Oncology | 2D 3D TSV |
26629859 | 5 | Novel iodoacetamido benzoheterocyclic derivatives with potent antileukemic activity are inhibitors of STAT5 phosphorylation. | Eur J Med Chem 108: 39-52 (2016) | Universit£ di Ferrara | 2D 3D TSV |
26629858 | 1 | Synthesis and evaluation of gallocyanine dyes as potential agents for the treatment of Alzheimer's disease and related neurodegenerative tauopathies. | Eur J Med Chem 108: 28-38 (2016) | Aristotle University of Thessaloniki | 2D 3D TSV |
26629857 | 44 | Novel leucine ureido derivatives as aminopeptidase N inhibitors. Design, synthesis and activity evaluation. | Eur J Med Chem 108: 21-7 (2016) | Fudan University | 2D 3D TSV |
26627579 | 37 | Synthesis and multiparametric evaluation of thiadiazoles and oxadiazoles as diacylglycerol acyltransferase type 1 inhibitors. | Bioorg Med Chem Lett 26: 25-32 (2016) | Sanofi-aventis R&D | 2D 3D TSV |
26620718 | 37 | Design, synthesis and preliminary biological studies of pyrrolidine derivatives as Mcl-1 inhibitors. | Bioorg Med Chem 23: 7685-93 (2015) | Shandong University | 2D 3D TSV |
26620255 | 42 | Discovery of the imidazole-derived GPR40 agonist AM-3189. | Bioorg Med Chem Lett 26: 15-20 (2015) | Amgen Inc | 2D 3D TSV |
26619267 | 29 | 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors. | J Med Chem 59: 4221-34 (2016) | McGill University | 2D 3D TSV |
26618211 | 2 | Avertoxins A-D, Prenyl Asteltoxin Derivatives from Aspergillus versicolor Y10, an Endophytic Fungus of Huperzia serrata. | J Nat Prod 78: 3067-70 (2015) | Fujian Normal University | 2D 3D TSV |
26617968 | 4 | Design and Synthesis of a Focused Library of Diamino Triazines as Potential Mycobacterium tuberculosis DHFR Inhibitors. | ACS Med Chem Lett 6: 1140-4 (2015) | Institute of Chemical Technology | 2D 3D TSV |
26617966 | 40 | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. | ACS Med Chem Lett 6: 1128-33 (2015) | Pfizer Inc | 2D 3D TSV |
26616289 | 8 | Identification of dual PPAR?/? agonists and their effects on lipid metabolism. | Bioorg Med Chem 23: 7676-84 (2015) | The University of Sydney | 2D 3D TSV |
26615885 | 10 | Addressing cytotoxicity of 1,4-biphenyl amide derivatives: Discovery of new potent and selective 17?-hydroxysteroid dehydrogenase type 2 inhibitors. | Bioorg Med Chem Lett 26: 21-4 (2016) | Saarland University | 2D 3D TSV |
26614409 | 1 | Rational design, synthesis and in vitro evaluation of allylidene hydrazinecarboximidamide derivatives as BACE-1 inhibitors. | Bioorg Med Chem Lett 26: 33-7 (2015) | Birla Institute of Technology | 2D 3D TSV |
26614408 | 106 | Identification of azabenzimidazoles as potent JAK1 selective inhibitors. | Bioorg Med Chem Lett 26: 60-7 (2015) | AstraZeneca | 2D 3D TSV |
26613635 | 23 | Design, synthesis and evaluation of antiestrogen and histone deacetylase inhibitor molecular hybrids. | Bioorg Med Chem 23: 7597-606 (2015) | McGill University | 2D 3D TSV |
26613634 | 11 | Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. | Bioorg Med Chem 23: 7650-60 (2015) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
26613420 | 15 | Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds. | J Med Chem 58: 9510-21 (2015) | Rikkyo University | 2D 3D TSV |
26613291 | 11 | Structure-Based Discovery of Novel Cyclophilin A Inhibitors for the Treatment of Hepatitis C Virus Infections. | J Med Chem 58: 9546-61 (2015) | Chonnam National University | 2D 3D TSV |
26611920 | 50 | Optimization of allosteric MEK inhibitors. Part 2: Taming the sulfamide group balances compound distribution properties. | Bioorg Med Chem Lett 26: 186-93 (2015) | Bayer HealthCare AG | 2D 3D TSV |
26611919 | 21 | Cross metathesis with hydroxamate and benzamide BOC-protected alkenes to access HDAC inhibitors and their biological evaluation highlighted intrinsic activity of BOC-protected dihydroxamates. | Bioorg Med Chem Lett 26: 154-9 (2016) | University of Geneva | 2D 3D TSV |
26611918 | 45 | Enkephalin analogues with N-phenyl-N-(piperidin-2-ylmethyl)propionamide derivatives: Synthesis and biological evaluations. | Bioorg Med Chem Lett 26: 222-7 (2016) | University of Arizona | 2D 3D TSV |
26608552 | 46 | Discovery of substituted-2,4-dimethyl-(naphthalene-4-carbonyl)amino-benzoic acid as potent and selective EP4 antagonists. | Bioorg Med Chem Lett 26: 105-9 (2016) | Eli Lilly and Company | 2D 3D TSV |
26608551 | 35 | Synthesis of (3S,4S)-4-aminopyrrolidine-3-ol derivatives and biological evaluation for their BACE1 inhibitory activities. | Bioorg Med Chem Lett 26: 51-4 (2015) | Korea University of Science and Technology | 2D 3D TSV |
26602279 | 12 | Identification of novel protein tyrosine phosphatase sigma inhibitors promoting neurite extension. | Bioorg Med Chem Lett 26: 87-93 (2016) | Chungnam National University | 2D 3D TSV |
26602278 | 11 | Hit-to-lead optimization of phenylsulfonyl hydrazides for a potent suppressor of PGE2 production: Synthesis, biological activity, and molecular docking study. | Bioorg Med Chem Lett 26: 94-9 (2015) | Kyung Hee University | 2D 3D TSV |
26602277 | 42 | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia. | Bioorg Med Chem Lett 26: 126-32 (2016) | Merck Research Laboratories | 2D 3D TSV |
26599534 | 22 | Synthesis and evaluation of bis-thiazole derivatives as new anticancer agents. | Eur J Med Chem 107: 288-94 (2016) | Anadolu University | 2D 3D TSV |
26599532 | 44 | Extended structure-activity study of thienopyrimidine-based EGFR inhibitors with evaluation of drug-like properties. | Eur J Med Chem 107: 255-74 (2015) | Norwegian University of Science and Technology | 2D 3D TSV |
26599519 | 6 | Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach. | J Med Chem 58: 9680-96 (2015) | Universit£ de Montpellier | 2D 3D TSV |
26599352 | 35 | Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor. | J Med Chem 58: 9773-8 (2015) | Universit£ di Napoli Federico II | 2D 3D TSV |
26598975 | 16 | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. | ACS Chem Biol 11: 772-81 (2016) | University of Toronto | 2D 3D TSV |
26598462 | 2 | Synthesis and biological evaluation of picolinamides and thiazole-2-carboxamides as mGluR5 (metabotropic glutamate receptor 5) antagonists. | Bioorg Med Chem Lett 26: 140-4 (2016) | Korea Institute of Science and Technology (KIST) | 2D 3D TSV |
26598460 | 14 | Diversification of edaravone via palladium-catalyzed hydrazine cross-coupling: Applications against protein misfolding and oligomerization of beta-amyloid. | Bioorg Med Chem Lett 26: 100-4 (2015) | Dalhousie University | 2D 3D TSV |
26597536 | 7 | Identification of a potent inhibitor targeting human lactate dehydrogenase A and its metabolic modulation for cancer cell line. | Bioorg Med Chem Lett 26: 72-5 (2016) | Chongqing University | 2D 3D TSV |
26597534 | 14 | Fragment-assisted hit investigation involving integrated HTS and fragment screening: Application to the identification of phosphodiesterase 10A (PDE10A) inhibitors. | Bioorg Med Chem Lett 26: 197-202 (2016) | AstraZeneca | 2D 3D TSV |
26596711 | 3 | Searching for novel applications of the benzohomoadamantane scaffold in medicinal chemistry: Synthesis of novel 11?-HSD1 inhibitors. | Bioorg Med Chem 23: 7607-17 (2015) | Universitat de Barcelona | 2D 3D TSV |
26596710 | 27 | Discovery of novel quinoline-based mTOR inhibitors via introducing intra-molecular hydrogen bonding scaffold (iMHBS): The design, synthesis and biological evaluation. | Bioorg Med Chem 23: 7585-96 (2015) | Zhejiang University | 2D 3D TSV |
26595749 | 77 | N-Benzylbenzamides: A Novel Merged Scaffold for Orally Available Dual Soluble Epoxide Hydrolase/Peroxisome Proliferator-Activated Receptor¿ Modulators. | J Med Chem 59: 61-81 (2016) | Goethe-University Frankfurt | 2D 3D TSV |
26595185 | 30 | Novel biphenyl bis-sulfonamides as acetyl and butyrylcholinesterase inhibitors: Synthesis, biological evaluation and molecular modeling studies. | Bioorg Chem 64: 13-20 (2016) | Government College University | 2D 3D TSV |
26592528 | 37 | Fragment-Based Discovery of Subtype-Selective Adenosine Receptor Ligands from Homology Models. | J Med Chem 58: 9578-90 (2015) | Stockholm University | 2D 3D TSV |
26590508 | 29 | 1-Piperazinylphthalazines as potential VEGFR-2 inhibitors and anticancer agents: Synthesis and in vitro biological evaluation. | Eur J Med Chem 107: 165-79 (2016) | Cairo University | 2D 3D TSV |
26590100 | 42 | Discovery of benzamides as potent human ?3 adrenergic receptor agonists. | Bioorg Med Chem Lett 26: 55-9 (2016) | Merck and Co. | 2D 3D TSV |
26588603 | 21 | Can Small Chemical Modifications of Natural Pan-inhibitors Modulate the Biological Selectivity? The Case of Curcumin Prenylated Derivatives Acting as HDAC or mPGES-1 Inhibitors. | J Nat Prod 78: 2867-79 (2015) | Mashhad University of Medical Sciences | 2D 3D TSV |
26588190 | 1 | Structure-Activity Relationships of Novel Tryptamine-Based Inhibitors of Bacterial Transglycosylase. | J Med Chem 58: 9712-21 (2015) | University of Ljubljana | 2D 3D TSV |
26588065 | 45 | Synthesis, pharmacological assessment, molecular modeling and in silico studies of fused tricyclic coumarin derivatives as a new family of multifunctional anti-Alzheimer agents. | Eur J Med Chem 107: 219-32 (2016) | Yogi Vemana University | 2D 3D TSV |
26588064 | 34 | New highly active antiplatelet agents with dual specificity for platelet P2Y1 and P2Y12 adenosine diphosphate receptors. | Eur J Med Chem 107: 204-18 (2016) | GLSynthesis, Inc. | 2D 3D TSV |
26588045 | 35 | Perspectives on the Two-Pore Domain Potassium Channel TREK-1 (TWIK-Related K(+) Channel 1). A Novel Therapeutic Target? | J Med Chem 59: 5149-57 (2016) | Universit£ Clermont Auvergne | 2D 3D TSV |
26585276 | 17 | Synthesis and comparison of the biological activity of monocyclic phosphonate, difluorophosphonate and phosphate analogs of the natural AChE inhibitor cyclophostin. | Bioorg Med Chem 23: 7529-34 (2015) | University of Missouri-St. Louis | 2D 3D TSV |
26585275 | 144 | A structure-activity relationship of non-peptide macrocyclic histone deacetylase inhibitors and their anti-proliferative and anti-inflammatory activities. | Bioorg Med Chem 23: 7543-64 (2015) | Georgia Institute of Technology | 2D 3D TSV |
26584879 | 16 | 2,30-Bis(10H-indole) heterocycles: New p53/MDM2/MDMX antagonists. | Bioorg Med Chem Lett 25: 5661-6 (2015) | University of Groningen | 2D 3D TSV |
26584396 | 123 | Comprehensive Analysis of Structure-Activity Relationships of ?-Ketoheterocycles as sn-1-Diacylglycerol Lipase ? Inhibitors. | J Med Chem 58: 9742-53 (2015) | Leiden University | 2D 3D TSV |
26583263 | 3 | 1,9-seco-Bicyclic Polyprenylated Acylphloroglucinols from Hypericum uralum. | J Nat Prod 78: 3075-9 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
26580980 | 38 | Design of ?7 nicotinic acetylcholine receptor ligands using the (het)Aryl-1,2,3-triazole core: Synthesis, in vitro evaluation and SAR studies. | Eur J Med Chem 107: 153-64 (2016) | Universite Orleans | 2D 3D TSV |
26580420 | 13 | An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer. | J Med Chem 58: 9309-33 (2015) | University of Sheffield | 2D 3D TSV |
26575582 | 15 | Development of 2-(Substituted Benzylamino)-4-Methyl-1, 3-Thiazole-5-Carboxylic Acid Derivatives as Xanthine Oxidase Inhibitors and Free Radical Scavengers. | Chem Biol Drug Des 87: 508-16 (2016) | Jamia Hamdard | 2D 3D TSV |
26575458 | 19 | Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists. | Eur J Med Chem 107: 119-32 (2016) | University of Eastern Finland | 2D 3D TSV |
26575343 | 4 | Arthroamide, a Cyclic Depsipeptide with Quorum Sensing Inhibitory Activity from Arthrobacter sp. | J Nat Prod 78: 2827-31 (2015) | Toyama Prefectural University | 2D 3D TSV |
26575094 | 60 | Discovery and SAR of Novel and Selective Inhibitors of Urokinase Plasminogen Activator (uPA) with an Imidazo[1,2-a]pyridine Scaffold. | J Med Chem 58: 9238-57 (2015) | University of Antwerp (UA) | 2D 3D TSV |
26572217 | 60 | Disrupting Acetyl-Lysine Recognition: Progress in the Development of Bromodomain Inhibitors. | J Med Chem 59: 1271-98 (2016) | Genentech | 2D 3D TSV |
26568411 | 68 | Discovery of Oral VEGFR-2 Inhibitors with Prolonged Ocular Retention That Are Efficacious in Models of Wet Age-Related Macular Degeneration. | J Med Chem 58: 9273-86 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26568289 | 32 | Discovery of Inhibitors That Overcome the G1202R Anaplastic Lymphoma Kinase Resistance Mutation. | J Med Chem 58: 9296-9308 (2015) | Dana-Farber Cancer Institute | 2D 3D TSV |
26568144 | 8 | Discovery of 6-(4-{[5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl]methoxy}piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic Acid: A Novel FXR Agonist for the Treatment of Dyslipidemia. | J Med Chem 58: 9768-72 (2015) | Eli Lilly and Company | 2D 3D TSV |
26565745 | 165 | Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example. | J Med Chem 58: 9287-95 (2015) | Janssen Pharmaceutica N.V. | 2D 3D TSV |
26565666 | 82 | Discovery of a First-in-Class, Potent, Selective, and Orally Bioavailable Inhibitor of the p97 AAA ATPase (CB-5083). | J Med Chem 58: 9480-97 (2015) | Cleave Biosciences Inc. | 2D 3D TSV |
26564401 | 5 | Efficient stereoselective synthesis of 2-acetamido-1,2-dideoxyallonojirimycin (DAJNAc) and sp(2)-iminosugar conjugates: Novel hexosaminidase inhibitors with discrimination capabilities between the mature and precursor forms of the enzyme. | Eur J Med Chem 121: 926-938 (2016) | The Barcelona Institute of Science and Technology | 2D 3D TSV |
26564266 | 22 | Identification, synthesis and pharmacological evaluation of novel anti-EV71 agents via cyclophilin A inhibition. | Bioorg Med Chem Lett 25: 5682-6 (2015) | East China University of Science and Technology | 2D 3D TSV |
26562545 | 13 | Development of highly potent phosphodiesterase 10A (PDE10A) inhibitors: Synthesis and in vitro evaluation of 1,8-dipyridinyl- and 1-pyridinyl-substituted imidazo[1,5-a]quinoxalines. | Eur J Med Chem 107: 97-108 (2015) | Institute of Radiopharmaceutical Cancer Research | 2D 3D TSV |
26562543 | 14 | Pivotal role of glycogen synthase kinase-3: A therapeutic target for Alzheimer's disease. | Eur J Med Chem 107: 63-81 (2015) | Central University | 2D 3D TSV |
26562542 | 71 | Novel nonsecosteroidal VDR ligands with phenyl-pyrrolyl pentane skeleton for cancer therapy. | Eur J Med Chem 107: 48-62 (2016) | China Pharmaceutical University | 2D 3D TSV |
26562217 | 38 | Development of Alkyne-Containing Pyrazolopyrimidines To Overcome Drug Resistance of Bcr-Abl Kinase. | J Med Chem 58: 9228-37 (2015) | University of Southern California | 2D 3D TSV |
26561979 | 42 | Discovery and Pharmacology of a Novel Class of Diacylglycerol Acyltransferase 2 Inhibitors. | J Med Chem 58: 9345-53 (2015) | Merck & Co., Inc. | 2D 3D TSV |
26561742 | 18 | Design, synthesis and biological screening of new 4-thiazolidinone derivatives with promising COX-2 selectivity, anti-inflammatory activity and gastric safety profile. | Bioorg Chem 64: 1-12 (2016) | Beni-Suef University | 2D 3D TSV |
26561003 | 25 | Novel Hits in the Correction of ?F508-Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Protein: Synthesis, Pharmacological, and ADME Evaluation of Tetrahydropyrido[4,3-d]pyrimidines for the Potential Treatment of Cystic Fibrosis. | J Med Chem 58: 9697-711 (2015) | Siena Biotech S.p.A. | 2D 3D TSV |
26560855 | 40 | Benzoxazolone Carboxamides as Potent Acid Ceramidase Inhibitors: Synthesis and Structure-Activity Relationship (SAR) Studies. | J Med Chem 58: 9258-72 (2015) | Fondazione Istituto Italiano di Tecnologia | 2D 3D TSV |
26560048 | 1 | Discovery of a marine-derived bis-indole alkaloid fascaplysin, as a new class of potent P-glycoprotein inducer and establishment of its structure-activity relationship. | Eur J Med Chem 107: 1-11 (2016) | CSIR-Indian Institute of Integrative Medicine | 2D 3D TSV |
26558516 | 39 | Design, synthesis and preliminary bioactivity studies of imidazolidine-2,4-dione derivatives as Bcl-2 inhibitors. | Bioorg Med Chem 23: 7359-65 (2015) | Shandong University | 2D 3D TSV |
26555357 | 18 | Microwave-assisted solid-phase synthesis of side-chain to side-chain lactam-bridge cyclic peptides. | Bioorg Med Chem Lett 25: 5708-11 (2015) | University of Minnesota | 2D 3D TSV |
26555243 | 45 | Novel ?-Carboline/Hydroxamic Acid Hybrids Targeting Both Histone Deacetylase and DNA Display High Anticancer Activity via Regulation of the p53 Signaling Pathway. | J Med Chem 39: 817-25 (1996) | China Pharmaceutical University | 2D 3D TSV |
26555154 | 36 | AXL Inhibitors in Cancer: A Medicinal Chemistry Perspective. | J Med Chem 59: 3593-608 (2016) | University of Edinburgh | 2D 3D TSV |
26555041 | 42 | Development of a Highly Potent D2/D3 Agonist and a Partial Agonist from Structure-Activity Relationship Study of N(6)-(2-(4-(1H-Indol-5-yl)piperazin-1-yl)ethyl)-N(6)-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine Analogues: Implication in the Treatment of Parkinson's Disease. | J Med Chem 58: 9179-95 (2015) | Wayne State University | 2D 3D TSV |
26552700 | 2 | Generation of a Selective Small Molecule Inhibitor of the CBP/p300 Bromodomain for Leukemia Therapy. | Cancer Res 75: 5106-5119 (2015) | University of Oxford | 2D 3D TSV |
26551342 | 7 | Meroterpenoids from a Tropical Dysidea sp. Sponge. | J Nat Prod 78: 2814-21 (2015) | Seoul National University | 2D 3D TSV |
26551065 | 18 | Triazole double-headed ribonucleosides as inhibitors of eosinophil derived neurotoxin. | Bioorg Chem 63: 152-65 (2015) | University of Thessaly | 2D 3D TSV |
26551034 | 82 | Discovery and Structure-Guided Optimization of Diarylmethanesulfonamide Disrupters of Glucokinase-Glucokinase Regulatory Protein (GK-GKRP) Binding: Strategic Use of a N ? S (nN ? ?*S-X) Interaction for Conformational Constraint. | J Med Chem 58: 9663-79 (2015) | Amgen | 2D 3D TSV |
26549870 | 1 | Structural design, synthesis and pharmacological evaluation of 4-thiazolidinones against Trypanosoma cruzi. | Bioorg Med Chem 23: 7478-86 (2015) | Universidade Federal de Pernambuco | 2D 3D TSV |
26547690 | 17 | Design and synthesis of an in vivo-efficacious PIM3 kinase inhibitor as a candidate anti-pancreatic cancer agent. | Bioorg Med Chem Lett 25: 5687-93 (2015) | The University of Tokyo | 2D 3D TSV |
26547232 | 7 | 2-Arylquinazolin-4(3H)-ones: A novel class of thymidine phosphorylase inhibitors. | Bioorg Chem 63: 142-51 (2015) | University of Karachi | 2D 3D TSV |
26547056 | 36 | Structure-activity relationship studies of pyrimidine-2,4-dione derivatives as potent P2X7 receptor antagonists. | Eur J Med Chem 106: 180-93 (2015) | Gwangju Institute of Science and Technology (GIST) | 2D 3D TSV |
26546221 | 34 | Synthesis, cyclooxygenase inhibition, anti-inflammatory evaluation and ulcerogenic liability of novel triarylpyrazoline derivatives as selective COX-2 inhibitors. | Bioorg Med Chem Lett 25: 5787-91 (2015) | Beni-Suef University | 2D 3D TSV |
26546219 | 47 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. | Bioorg Med Chem Lett 25: 5743-7 (2015) | AstraZeneca | 2D 3D TSV |
26546218 | 13 | Structure-activity-relationship of amide and sulfonamide analogs of omarigliptin. | Bioorg Med Chem Lett 25: 5767-71 (2015) | Merck Research Laboratories | 2D 3D TSV |
26546217 | 10 | Identification and activity of inhibitors of the essential nematode-specific metalloprotease DPY-31. | Bioorg Med Chem Lett 25: 5752-5 (2015) | University of Glasgow | 2D 3D TSV |
26546213 | 56 | 1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as potent GR antagonists with reduced hERG inhibition and an improved pharmacokinetic profile. | Bioorg Med Chem Lett 25: 5720-5 (2015) | Corcept Therapeutics | 2D 3D TSV |
26545798 | 10 | Discovery of bis-aryl urea derivatives as potent and selective Limk inhibitors: Exploring Limk1 activity and Limk1/ROCK2 selectivity through a combined computational study. | Bioorg Med Chem 23: 7464-77 (2015) | Shanghai Institute of Technology | 2D 3D TSV |
26544630 | 18 | Analogues of ethionamide, a drug used for multidrug-resistant tuberculosis, exhibit potent inhibition of tyrosinase. | Eur J Med Chem 106: 157-66 (2015) | Kyungpook National University | 2D 3D TSV |
26544629 | 3 | Structure activity relationships of 4-hydroxy-2-pyridones: A novel class of antituberculosis agents. | Eur J Med Chem 106: 144-56 (2015) | Novartis Institute for Tropical Diseases | 2D 3D TSV |
26542966 | 25 | Novel orally active inhibitors of ?-1,3-glucan synthesis derived from enfumafungin. | Bioorg Med Chem Lett 25: 5813-8 (2015) | Merck Research Laboratories | 2D 3D TSV |
26542964 | 15 | Synthesis, biological activity evaluation and molecular docking studies of novel coumarin substituted thiazolyl-3-aryl-pyrazole-4-carbaldehydes. | Bioorg Med Chem Lett 25: 5797-803 (2015) | National Institute of Technology | 2D 3D TSV |
26540564 | 30 | Discovery of N-[5-(6-Chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-ylmethyl]-ethanesulfonamide, a Cortisol-Sparing CYP11B2 Inhibitor that Lowers Aldosterone in Human Subjects. | J Med Chem 58: 9382-94 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26539626 | 5 | Resveratrol-Related Polymethoxystilbene Glycosides: Synthesis, Antiproliferative Activity, and Glycosidase Inhibition. | J Nat Prod 78: 2675-83 (2015) | Universit£ degli Studi di Catania | 2D 3D TSV |
26537784 | 4 | Design, synthesis and antithrombotic evaluation of novel dabigatran etexilate analogs, a new series of non-peptides thrombin inhibitors. | Bioorg Med Chem 23: 7405-16 (2015) | China Pharmaceutical University | 2D 3D TSV |
26536532 | 19 | Synthesis and biological evaluation of novel 5-(hydroxamic acid)methyl oxazolidinone derivatives. | Eur J Med Chem 106: 120-31 (2015) | Kuwait University | 2D 3D TSV |
26536069 | 89 | Design of Specific Serine Protease Inhibitors Based on a Versatile Peptide Scaffold: Conversion of a Urokinase Inhibitor to a Plasma Kallikrein Inhibitor. | J Med Chem 58: 8868-76 (2015) | Aarhus University | 2D 3D TSV |
26534780 | 22 | Carbonic anhydrase inhibitors: Design, synthesis, kinetic, docking and molecular dynamics analysis of novel glycine and phenylalanine sulfonamide derivatives. | Bioorg Med Chem 23: 7353-8 (2015) | Gebze Technical University | 2D 3D TSV |
26531152 | 23 | Identification and optimisation of a series of tetrahydrobenzotriazoles as metabotropic glutamate receptor 5-selective positive allosteric modulators that improve performance in a preclinical model of cognition. | Bioorg Med Chem Lett 25: 5792-6 (2015) | Eisai Limited | 2D 3D TSV |
26531150 | 15 | Benzo[7]annulene-based GluN2B selective NMDA receptor antagonists: Surprising effect of a nitro group in 2-position. | Bioorg Med Chem Lett 25: 5748-51 (2015) | University Munster | 2D 3D TSV |
26529431 | 16 | Flavones Inhibit the Activity of AKR1B10, a Promising Therapeutic Target for Cancer Treatment. | J Nat Prod 78: 2666-74 (2015) | University of Hradec Kralove | 2D 3D TSV |
26529344 | 22 | Novel Electrophilic and Photoaffinity Covalent Probes for Mapping the Cannabinoid 1 Receptor Allosteric Site(s). | J Med Chem 59: 44-60 (2016) | Dalhousie University | 2D 3D TSV |
26526744 | 14 | Synthesis and activities of new indolopyrrolobenzodiazepine derivatives toward acute myeloid leukemia cells. | Bioorg Med Chem 23: 7313-23 (2015) | Universit£ Clermont Auvergne | 2D 3D TSV |
26526743 | 15 | Synthesis of novel benzohydrazone-oxadiazole hybrids asß-glucuronidase inhibitors and molecular modeling studies. | Bioorg Med Chem 23: 7394-404 (2015) | Universiti Teknologi MARA (UiTM) | 2D 3D TSV |
26526740 | 111 | Synthesis and biological evaluation of di-aryl urea derivatives as c-Kit inhibitors. | Bioorg Med Chem 23: 7340-7 (2015) | Univ. Lille | 2D 3D TSV |
26526739 | 35 | Catecholic amides as potential selective phosphodiesterase 4D inhibitors: Design, synthesis, pharmacological evaluation and structure-activity relationships. | Bioorg Med Chem 23: 7332-9 (2015) | Southern Medical University | 2D 3D TSV |
26526214 | 34 | Discovery of potent, selective, and orally bioavailable inhibitors of interleukin-1 receptor-associate kinase-4. | Bioorg Med Chem Lett 25: 5546-50 (2015) | Amgen Inc. | 2D 3D TSV |
26526213 | 6 | Inhibitory kinetics of novel 2,3-dihydro-1H-inden-1-one chalcone-like derivatives on mushroom tyrosinase. | Bioorg Med Chem Lett 25: 5495-9 (2015) | University of Technology Sydney | 2D 3D TSV |
26525866 | 7 | A novel class of negative allosteric modulators of NMDA receptor function. | Bioorg Med Chem Lett 25: 5583-8 (2015) | Emory University | 2D 3D TSV |
26525865 | 2 | A selective delta opioid receptor antagonist based on a stilbene core. | Bioorg Med Chem Lett 25: 5532-5 (2015) | The University of Iowa | 2D 3D TSV |
26525863 | 71 | Anion and sulfonamide inhibition studies of an ?-carbonic anhydrase from the Antarctic hemoglobinless fish Chionodraco hamatus. | Bioorg Med Chem Lett 25: 5485-9 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26524472 | 75 | Further Optimization and Evaluation of Bioavailable, Mixed-Efficacyµ-Opioid Receptor (MOR) Agonists/d-Opioid Receptor (DOR) Antagonists: Balancing MOR and DOR Affinities. | J Med Chem 58: 8952-69 (2015) | University of Michigan | 2D 3D TSV |
26522952 | 44 | Development of a potent and selective cell penetrant Legumain inhibitor. | Bioorg Med Chem Lett 25: 5642-5 (2015) | Queen's University Belfast | 2D 3D TSV |
26522950 | 60 | Discovery of 1H-pyrazolo[3,4-b]pyridines as potent dual orexin receptor antagonists (DORAs). | Bioorg Med Chem Lett 25: 5555-60 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26522948 | 77 | Potent complement C3a receptor agonists derived from oxazole amino acids: Structure-activity relationships. | Bioorg Med Chem Lett 25: 5604-8 (2015) | The University of Queensland | 2D 3D TSV |
26522946 | 9 | The use of porcupine inhibitors to target Wnt-driven cancers. | Bioorg Med Chem Lett 25: 5472-6 (2015) | Experimental Therapeutics Centre | 2D 3D TSV |
26522088 | 7 | Interactions of a potent cyclic peptide inhibitor with the light chain of botulinum neurotoxin A: Insights from X-ray crystallography. | Bioorg Med Chem 23: 7264-73 (2015) | Brookhaven National Laboratory | 2D 3D TSV |
26520885 | 21 | Synthesis of 4-thiazolidinone analogs as potent in vitro anti-urease agents. | Bioorg Chem 63: 123-31 (2015) | Hazara University | 2D 3D TSV |
26520662 | 45 | Interaction of carbonic anhydrase isozymes I, II, and IX with some pyridine and phenol hydrazinecarbothioamide derivatives. | Bioorg Med Chem Lett 25: 5636-41 (2015) | Balikesir University | 2D 3D TSV |
26520661 | 18 | 1,3-Disubstituted and 1,3,3-trisubstituted adamantyl-ureas with isoxazole as soluble epoxide hydrolase inhibitors. | Bioorg Med Chem Lett 25: 5514-9 (2015) | University of California Davis | 2D 3D TSV |
26519929 | 3 | Synthesis and biological evaluation of negative allosteric modulators of the Kv11.1(hERG) channel. | Eur J Med Chem 106: 50-9 (2015) | Leiden University | 2D 3D TSV |
26518975 | 9 | Synthesis, Antifolate and Anticancer Activities of N(5) -Substituted 8,10-Dideazatetrahydrofolate Analogues. | Chem Biol Drug Des 87: 444-54 (2016) | Peking University | 2D 3D TSV |
26517152 | 28 | Spiroindole Alkaloids and Spiroditerpenoids from Aspergillus duricaulis and Their Potential Neuroprotective Effects. | J Nat Prod 78: 2572-9 (2015) | Korea University | 2D 3D TSV |
26516782 | 59 | Selective Allosteric Antagonists for the G Protein-Coupled Receptor GPRC6A Based on the 2-Phenylindole Privileged Structure Scaffold. | J Med Chem 58: 8938-51 (2015) | University of Copenhagen | 2D 3D TSV |
26515040 | 2 | Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity. | Bioorg Med Chem 23: 7274-81 (2015) | Showa Pharmaceutical University | 2D 3D TSV |
26514744 | 46 | Synthesis of donepezil-based multifunctional agents for the treatment of Alzheimer's disease. | Bioorg Med Chem Lett 25: 5576-82 (2015) | Ataturk University | 2D 3D TSV |
26513642 | 28 | Highly functionalized tetrahydropyridines are cytotoxic and selective inhibitors of human puromycin sensitive aminopeptidase. | Eur J Med Chem 106: 26-33 (2015) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
26513641 | 14 | Design and synthesis of fused tetrahydroisoquinoline-iminoimidazolines. | Eur J Med Chem 106: 15-25 (2015) | Universit£ de Lille | 2D 3D TSV |
26512410 | 8 | G Protein-Coupled Receptor 119 (GPR119) Agonists for the Treatment of Diabetes: Recent Progress and Prevailing Challenges. | J Med Chem 59: 3579-92 (2016) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
26510670 | 9 | Ethynylphenyl carbonates and carbamates as dual-action acetylcholinesterase inhibitors and anti-inflammatory agents. | Bioorg Med Chem Lett 25: 5609-12 (2015) | Lehigh University | 2D 3D TSV |
26510622 | 2 | Pharmacological Targeting of AMP-Activated Protein Kinase and Opportunities for Computer-Aided Drug Design. | J Med Chem 59: 2879-93 (2016) | Maastricht University | 2D 3D TSV |
26509831 | 29 | Anti-HIV Drug Discovery and Development: Current Innovations and Future Trends. | J Med Chem 59: 2849-78 (2016) | Shandong University | 2D 3D TSV |
26509640 | 234 | Discovery of A-971432, An Orally Bioavailable Selective Sphingosine-1-Phosphate Receptor 5 (S1P5) Agonist for the Potential Treatment of Neurodegenerative Disorders. | J Med Chem 58: 9154-70 (2015) | AbbVie Bioresearch Center | 2D 3D TSV |
26509551 | 31 | Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. | J Med Chem 58: 8513-28 (2015) | Pfizer Inc | 2D 3D TSV |
26508550 | 1 | Synthesis of natural phaeosphaeride A derivatives and an in vitro evaluation of their anti-cancer potential. | Bioorg Med Chem Lett 25: 5566-9 (2015) | Research Institute of Hygiene | 2D 3D TSV |
26508549 | 4 | Discovery ofa-mangostin as a novel competitive inhibitor against mutant isocitrate dehydrogenase-1. | Bioorg Med Chem Lett 25: 5625-31 (2015) | Dongguk University | 2D 3D TSV |
26508545 | 34 | Peptidyl prolyl isomerase Pin1-inhibitory activity of D-glutamic and D-aspartic acid derivatives bearing a cyclic aliphatic amine moiety. | Bioorg Med Chem Lett 25: 5619-24 (2015) | Nagoya City University | 2D 3D TSV |
26507431 | 21 | Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies. | Bioorg Med Chem 23: 7211-8 (2015) | Universiti Teknologi MARA (UiTM) | 2D 3D TSV |
26507430 | 36 | Structure-activity relationships of amide-phosphonate derivatives as inhibitors of the human soluble epoxide hydrolase. | Bioorg Med Chem 23: 7199-210 (2015) | Ehime University | 2D 3D TSV |
26506089 | 37 | Targeting the Src Homology 2 (SH2) Domain of Signal Transducer and Activator of Transcription 6 (STAT6) with Cell-Permeable, Phosphatase-Stable Phosphopeptide Mimics Potently Inhibits Tyr641 Phosphorylation and Transcriptional Activity. | J Med Chem 58: 8970-84 (2015) | Rice University | 2D 3D TSV |
26505898 | 123 | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies. | J Med Chem 58: 8373-86 (2015) | Novartis Institutes for Biomedical Research | 2D 3D TSV |
26505788 | 16 | Enzyme kinetics and inhibition of histone acetyltransferase KAT8. | Eur J Med Chem 105: 289-96 (2015) | University of Groningen | 2D 3D TSV |
26503905 | 51 | Tacrine-Trolox Hybrids: A Novel Class of Centrally Active, Nonhepatotoxic Multi-Target-Directed Ligands Exerting Anticholinesterase and Antioxidant Activities with Low In Vivo Toxicity. | J Med Chem 58: 8985-9003 (2015) | University Hospital Hradec Kralove | 2D 3D TSV |
26502160 | 6 | A Novel Pyrazolopyridine with in Vivo Activity in Plasmodium berghei- and Plasmodium falciparum-Infected Mouse Models from Structure-Activity Relationship Studies around the Core of Recently Identified Antimalarial Imidazopyridazines. | J Med Chem 58: 8713-22 (2015) | University of Cape Town | 2D 3D TSV |
26502061 | 6 | Targeting Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MAPKAPK2, MK2): Medicinal Chemistry Efforts To Lead Small Molecule Inhibitors to Clinical Trials. | J Med Chem 59: 3609-34 (2016) | Universit£ di Siena | 2D 3D TSV |
26500720 | 1 | Structural Elucidation of a Small Molecule Inhibitor of Protein Disulfide Isomerase. | ACS Med Chem Lett 6: 966-971 (2015) | Columbia University | 2D 3D TSV |
26498573 | 7 | Design and synthesis of 2-oxindole based multi-targeted inhibitors of PDK1/Akt signaling pathway for the treatment of glioblastoma multiforme. | Eur J Med Chem 105: 274-88 (2015) | University of Pisa | 2D 3D TSV |
26498394 | 105 | Inhibition of mammalian carbonic anhydrase isoforms I-XIV with a series of phenolic acid esters. | Bioorg Med Chem 23: 7181-8 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26498393 | 116 | New natural product carbonic anhydrase inhibitors incorporating phenol moieties. | Bioorg Med Chem 23: 7219-25 (2015) | Aristotle University of Thessaloniki | 2D 3D TSV |
26497283 | 68 | Macrocyclic prolinyl acyl guanidines as inhibitors ofß-secretase (BACE). | Bioorg Med Chem Lett 25: 5040-7 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26497049 | 110 | Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors. | J Med Chem 58: 8564-72 (2015) | Sapienza University of Rome | 2D 3D TSV |
26496515 | 11 | Iminothiazoline-Sulfonamide Hybrids as Jack Bean Urease Inhibitors; Synthesis, Kinetic Mechanism and Computational Molecular Modeling. | Chem Biol Drug Des 87: 434-43 (2016) | Quaid-i-Azam University | 2D 3D TSV |
26496408 | 6 | Development of hydroxylated naphthylchalcones as polyphenol oxidase inhibitors: Synthesis, biochemistry and molecular docking studies. | Bioorg Chem 63: 116-22 (2015) | University of Technology Sydney | 2D 3D TSV |
26496242 | 4 | Evaluation of Improved Glycogen Synthase Kinase-3a Inhibitors in Models of Acute Myeloid Leukemia. | J Med Chem 58: 8907-19 (2015) | Technische Universit£t Darmstadt | 2D 3D TSV |
26496175 | 28 | Identification ofß-Lapachone Analogs as Novel MALT1 Inhibitors To Treat an Aggressive Subtype of Diffuse Large B-Cell Lymphoma. | J Med Chem 58: 8491-502 (2015) | Institute of Basic Science (IBS) | 2D 3D TSV |
26496070 | 96 | Discovery of a Novel, Potent Spirocyclic Series of¿-Secretase Inhibitors. | J Med Chem 58: 8806-17 (2015) | Merck Research Laboratories | 2D 3D TSV |
26494583 | 8 | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor. | Bioorg Med Chem 23: 7138-49 (2015) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26494260 | 36 | Muscarinic acetylcholine receptor binding affinities of pethidine analogs. | Bioorg Med Chem Lett 25: 5032-5 (2015) | University of Kentucky | 2D 3D TSV |
26492514 | 56 | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates. | J Med Chem 58: 8723-33 (2015) | University of Minnesota | 2D 3D TSV |
26491978 | 24 | Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. | Eur J Med Chem 105: 145-55 (2015) | China Pharmaceutical University | 2D 3D TSV |
26491810 | 35 | Structure-Activity Relationships of the Peptide Kappa Opioid Receptor Antagonist Zyklophin. | J Med Chem 58: 8783-95 (2015) | The University of Kansas | 2D 3D TSV |
26488902 | 15 | Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators. | J Med Chem 58: 9498-509 (2015) | Case Western Reserve University | 2D 3D TSV |
26487917 | 61 | Synthesis and Evaluation of Novel Erlotinib-NSAID Conjugates as More Comprehensive Anticancer Agents. | ACS Med Chem Lett 6: 1086-90 (2015) | Guangzhou Institutes of Biomedicine and Health | 2D 3D TSV |
26487916 | 8 | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. | ACS Med Chem Lett 6: 1080-5 (2015) | Cubist Pharmaceuticals Inc | 2D 3D TSV |
26487915 | 4 | Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance. | ACS Med Chem Lett 6: 1075-9 (2015) | Yale University | 2D 3D TSV |
26487913 | 39 | Design, Synthesis, and Biological Evaluation of 1,2-Dihydroisoquinolines as HIV-1 Integrase Inhibitors. | ACS Med Chem Lett 6: 1065-70 (2015) | University of Delhi | 2D 3D TSV |
26487910 | 50 | Thioxo-dihydroquinazolin-one Compounds as Novel Inhibitors of Myeloperoxidase. | ACS Med Chem Lett 6: 1047-52 (2015) | Emory University | 2D 3D TSV |
26487908 | 10 | 5-Aryl-1-imino-1-oxo-[1,2,4]thiadiazines. | ACS Med Chem Lett 6: 1031-4 (2015) | Temple University | 2D 3D TSV |
26486317 | 9 | Hit Optimization of 5-Substituted-N-(piperidin-4-ylmethyl)-1H-indazole-3-carboxamides: Potent Glycogen Synthase Kinase-3 (GSK-3) Inhibitors with in Vivo Activity in Model of Mood Disorders. | J Med Chem 58: 8920-37 (2015) | Angelini S.p.A. | 2D 3D TSV |
26483200 | 100 | Synthesis and pharmacological evaluation of piperidine (piperazine)-substituted benzoxazole derivatives as multi-target antipsychotics. | Bioorg Med Chem Lett 25: 5299-305 (2015) | Huazhong University of Science and Technology | 2D 3D TSV |
26483198 | 30 | Synthesis and biological evaluation of 5-(fluoro-substituted-6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazoles as inhibitors of transforming growth factor-ß type I receptor kinase. | Bioorg Med Chem Lett 25: 5228-31 (2015) | Ewha Womans University | 2D 3D TSV |
26483137 | 2 | Chemical conjugation of 2-hexadecynoic acid to C5-curcumin enhances its antibacterial activity against multi-drug resistant bacteria. | Bioorg Med Chem Lett 25: 5067-71 (2015) | Inter American University of Puerto Rico | 2D 3D TSV |
26483136 | 12 | Constituents of the seeds of Cassia tora with inhibitory activity on soluble expoxide hydrolease. | Bioorg Med Chem Lett 25: 5097-101 (2015) | Chungnam National University | 2D 3D TSV |
26482570 | 9 | Design, synthesis and biological activity of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists. | Bioorg Med Chem 23: 7158-64 (2015) | China Pharmaceutical University | 2D 3D TSV |
26481659 | 18 | New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. | Bioorg Med Chem 23: 6785-93 (2015) | Ronzoni Institute for Chemical and Biochem. Research | 2D 3D TSV |
26481657 | 20 | Novel, potent, selective and cellular active ABC type PTP1B inhibitors containing (methanesulfonyl-phenyl-amino)-acetic acid methyl ester phosphotyrosine mimetic. | Bioorg Med Chem 23: 7079-88 (2015) | Qilu University of Technology | 2D 3D TSV |
26481152 | 16 | Isolation, semisynthesis, covalent docking and transforming growth factor beta-activated kinase 1 (TAK1)-inhibitory activities of (5Z)-7-oxozeaenol analogues. | Bioorg Med Chem 23: 6993-9 (2015) | University of North Carolina at Greensboro | 2D 3D TSV |
26479945 | 15 | Discovery of a Novel Series of Imidazo[1,2-a]pyrimidine Derivatives as Potent and Orally Bioavailable Lipoprotein-Associated Phospholipase A2 Inhibitors. | J Med Chem 58: 8529-41 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
26479031 | 15 | Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. | Eur J Med Chem 105: 120-37 (2015) | Universitat de Barcelona | 2D 3D TSV |
26479029 | 79 | Development of new highly potent imidazo[1,2-b]pyridazines targeting Toxoplasma gondii calcium-dependent protein kinase 1. | Eur J Med Chem 105: 80-105 (2015) | Universit£ Fran£ois-Rabelais de Tours | 2D 3D TSV |
26477515 | 27 | Discovery of Novel Inhibitor Scaffolds against the Metallo-ß-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening. | J Med Chem 58: 8671-82 (2015) | UiT The Arctic University of Norway | 2D 3D TSV |
26476971 | 117 | Lead optimization of the VU0486321 series of mGlu1 PAMs. Part 1: SAR of modifications to the central aryl core. | Bioorg Med Chem Lett 25: 5107-10 (2015) | Vanderbilt University Medical Center | 2D 3D TSV |
26476749 | 61 | Novel tetracyclic benzo[b]carbazolones as highly potent and orally bioavailable ALK inhibitors: design, synthesis, and structure-activity relationship study. | Eur J Med Chem 105: 39-56 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
26475522 | 81 | Acyl dihydropyrazolo[1,5-a]pyrimidinones as metabotropic glutamate receptor 5 positive allosteric modulators. | Bioorg Med Chem Lett 25: 5115-20 (2015) | Vanderbilt University Medical Center | 2D 3D TSV |
26475520 | 43 | Targeting EGFR/HER2 tyrosine kinases with a new potent series of 6-substituted 4-anilinoquinazoline hybrids: Design, synthesis, kinase assay, cell-based assay, and molecular docking. | Bioorg Med Chem Lett 25: 5147-54 (2015) | Korea University of Science and Technology (UST) | 2D 3D TSV |
26475519 | 40 | Hybrids from 4-anilinoquinazoline and hydroxamic acid as dual inhibitors of vascular endothelial growth factor receptor-2 and histone deacetylase. | Bioorg Med Chem Lett 25: 5137-41 (2015) | China Pharmaceutical University | 2D 3D TSV |
26475518 | 19 | Synthesis and evaluation of aporphine analogs containing C1 allyl isosteres at the h5-HT(2A) receptor. | Bioorg Med Chem Lett 25: 5102-6 (2015) | City University of New York | 2D 3D TSV |
26474665 | 56 | Synthetic, structural mimetics of the ?-hairpin flap of HIV-1 protease inhibit enzyme function. | Bioorg Med Chem 23: 7095-109 (2015) | University of Maryland | 2D 3D TSV |
26474664 | 76 | Structure activity relationships of benzyl C-region analogs of 2-(3-fluoro-4-methylsulfonamidophenyl)propanamides as potent TRPV1 antagonists. | Bioorg Med Chem 23: 6844-54 (2015) | Seoul National University | 2D 3D TSV |
26473791 | 20 | Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. | J Med Chem 58: 8616-37 (2015) | Sun Yat-sen University | 2D 3D TSV |
26471320 | 50 | Donepezil-like multifunctional agents: Design, synthesis, molecular modeling and biological evaluation. | Eur J Med Chem 121: 864-879 (2016) | Okayama University | 2D 3D TSV |
26471092 | 23 | Molecular hybridization yields triazole bronchodilators for the treatment of COPD. | Bioorg Med Chem Lett 25: 5121-6 (2015) | Pfizer Inc | 2D 3D TSV |
26471089 | 13 | Design and synthesis of aloe-emodin derivatives as potent anti-tyrosinase, antibacterial and anti-inflammatory agents. | Bioorg Med Chem Lett 25: 5142-6 (2015) | Shaoyang University | 2D 3D TSV |
26469743 | 153 | Developing steroidal aromatase inhibitors-an effective armament to win the battle against breast cancer. | Eur J Med Chem 105: 1-38 (2015) | The M. S. University of Baroda | 2D 3D TSV |
26469557 | 2 | Antibacterial Prenylated Acylphloroglucinols from Psorothamnus fremontii. | J Nat Prod 78: 2748-53 (2015) | China Pharmaceutical University | 2D 3D TSV |
26469307 | 7 | Phosphorylation of Capsaicinoid Derivatives Provides Highly Potent and Selective Inhibitors of the Transcription Factor STAT5b. | ACS Chem Biol 10: 2884-90 (2015) | University of Leipzig | 2D 3D TSV |
26469301 | 12 | Synthesis and Evaluation of a Radioiodinated Tracer with Specificity for Poly(ADP-ribose) Polymerase-1 (PARP-1) in Vivo. | J Med Chem 58: 8683-93 (2015) | University of Glasgow | 2D 3D TSV |
26469213 | 58 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. | J Med Chem 58: 8694-712 (2015) | Northwestern University | 2D 3D TSV |
26466164 | 115 | N(?)-Carbamoylation of the Argininamide Moiety: An Avenue to Insurmountable NPY Y1 Receptor Antagonists and a Radiolabeled Selective High-Affinity Molecular Tool ([(3)H]UR-MK299) with Extended Residence Time. | J Med Chem 58: 8834-49 (2015) | CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale) | 2D 3D TSV |
26465170 | 87 | Discovery of Novel Multifunctional Ligands with ?/? Opioid Agonist/Neurokinin-1 (NK1) Antagonist Activities for the Treatment of Pain. | J Med Chem 58: 8573-83 (2015) | University of Arizona | 2D 3D TSV |
26465079 | 6 | Computational Tools To Model Halogen Bonds in Medicinal Chemistry. | J Med Chem 59: 1655-70 (2016) | Colorado State University | 2D 3D TSV |
26463133 | 22 | Influence of polar side chains modifications on the dual enkephalinase inhibitory activity and conformation of human opiorphin, a pain perception related peptide. | Bioorg Med Chem Lett 25: 5190-3 (2015) | Institute of Advanced Chemistry of Catalonia (IQAC-CSIC) | 2D 3D TSV |
26463129 | 41 | Negishi cross-coupling enabled synthesis of novel NAD(+)-dependent DNA ligase inhibitors and SAR development. | Bioorg Med Chem Lett 25: 5172-7 (2015) | AstraZeneca | 2D 3D TSV |
26462195 | 29 | 2-Aminopyrimidines as dual adenosine A1/A2A antagonists. | Eur J Med Chem 104: 177-88 (2015) | North-West University | 2D 3D TSV |
26462055 | 7 | Synthesis of novel compounds containing morpholine and 5(4H)-oxazolone rings as potent tyrosinase inhibitors. | Bioorg Med Chem 23: 7089-94 (2015) | Payame Noor University (PNU) | 2D 3D TSV |
26462052 | 29 | Synthesis and biochemical evaluation of benzoylbenzophenone thiosemicarbazone analogues as potent and selective inhibitors of cathepsin L. | Bioorg Med Chem 23: 6974-92 (2015) | Baylor University | 2D 3D TSV |
26461041 | 10 | First Demonstration of Positive Allosteric-like Modulation at the Human Wild Type Translocator Protein (TSPO). | J Med Chem 58: 8743-9 (2015) | University of New South Wales | 2D 3D TSV |
26460788 | 45 | Novel Series of Dihydropyridinone P2X7 Receptor Antagonists. | J Med Chem 58: 8413-26 (2015) | Hoffmann-La Roche, Inc. | 2D 3D TSV |
26460684 | 39 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. | J Med Chem 58: 8503-12 (2015) | Cubist Pharmaceuticals Inc | 2D 3D TSV |
26459208 | 115 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. | Bioorg Med Chem Lett 25: 5258-64 (2015) | Genentech | 2D 3D TSV |
26457560 | 5 | Cembranoids from the Gum Resin of Boswellia carterii as Potential Antiulcerative Colitis Agents. | J Nat Prod 78: 2322-31 (2015) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
26456805 | 27 | Synthesis, binding affinity, radiolabeling, and microPET evaluation of 4-(2-substituted-4-substituted)-8-(dialkylamino)-6-methyl-1-substituted-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-ones as ligands for brain corticotropin-releasing factor type-1 (CRF1) receptors. | Bioorg Med Chem Lett 25: 5111-4 (2015) | Emory University | 2D 3D TSV |
26456735 | 83 | Development of Potent and Selective Tissue Transglutaminase Inhibitors: Their Effect on TG2 Function and Application in Pathological Conditions. | Chem Biol 22: 1347-61 (2015) | Aston University | 2D 3D TSV |
26455919 | 87 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. | J Med Chem 58: 8877-95 (2015) | Argenta Discovery Ltd. | 2D 3D TSV |
26455657 | 12 | Isomeric methoxy analogs of nimesulide for development of brain cyclooxygense-2 (COX-2)-targeted imaging agents: Synthesis, in vitro COX-2-inhibitory potency, and cellular transport properties. | Bioorg Med Chem 23: 6807-14 (2015) | Tohoku Pharmaceutical University | 2D 3D TSV |
26455655 | 25 | Exploration of the linkage elements of porcupine antagonists led to potent Wnt signaling pathway inhibitors. | Bioorg Med Chem 23: 6855-68 (2015) | Soochow University | 2D 3D TSV |
26455654 | 8 | Crystal structures of human RIP2 kinase catalytic domain complexed with ATP-competitive inhibitors: Foundations for understanding inhibitor selectivity. | Bioorg Med Chem 23: 7000-6 (2015) | GlaxoSmithKline | 2D 3D TSV |
26454504 | 28 | Design, synthesis, biological evaluation and docking study of 4-isochromanone hybrids bearing N-benzyl pyridinium moiety as dual binding site acetylcholinesterase inhibitors. | Bioorg Med Chem Lett 25: 5212-6 (2015) | China Pharmaceutical University | 2D 3D TSV |
26453409 | 2 | Exploration of labeling by near infrared dyes of the polyproline linker for bivalent-type CXCR4 ligands. | Bioorg Med Chem 23: 6967-73 (2015) | Tokyo Medical and Dental University | 2D 3D TSV |
26451772 | 42 | Expanding the structural diversity of Bcr-Abl inhibitors: Dibenzoylpiperazin incorporated with 1H-indazol-3-amine. | Eur J Med Chem 104: 139-47 (2015) | First Affiliated Hospital of Xi'an Jiaotong University | 2D 3D TSV |
26451771 | 41 | Synthesis of dihydropyrimidine ?,?-diketobutanoic acid derivatives targeting HIV integrase. | Eur J Med Chem 104: 127-38 (2015) | Univ. Orl£ans et CNRS | 2D 3D TSV |
26451770 | 52 | Novel hydrazone moiety-bearing aminopyrimidines as selective inhibitors of epidermal growth factor receptor T790M mutant. | Eur J Med Chem 104: 115-26 (2015) | Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) | 2D 3D TSV |
26451651 | 20 | Pyridine sulfonamide as a small key organic molecule for the potential treatment of type-II diabetes mellitus and Alzheimer's disease: In vitro studies against yeast a-glucosidase, acetylcholinesterase and butyrylcholinesterase. | Bioorg Chem 63: 64-71 (2015) | GC University | 2D 3D TSV |
26448038 | 17 | Optimization of on-resin palladium-catalyzed Sonogashira cross-coupling reaction for peptides and its use in a structure-activity relationship study of a class B GPCR ligand. | Eur J Med Chem 104: 106-14 (2015) | Universit£ du Qu£bec | 2D 3D TSV |
26447940 | 27 | Identification of Highly Promising Antioxidants/Neuroprotectants Based on Nucleoside 5'-Phosphorothioate Scaffold. Synthesis, Activity, and Mechanisms of Action. | J Med Chem 58: 8427-43 (2015) | Bar-Ilan University | 2D 3D TSV |
26443549 | 2 | Antiviral activity of benzotriazole derivatives. 5-[4-(Benzotriazol-2-yl)phenoxy]-2,2-dimethylpentanoic acids potently and selectively inhibit Coxsackie Virus B5. | Bioorg Med Chem 23: 7024-34 (2015) | Universit£ degli Studi di Cagliari | 2D 3D TSV |
26443078 | 108 | Discovery of Selective Histone Deacetylase 6 Inhibitors Using the Quinazoline as the Cap for the Treatment of Cancer. | J Med Chem 59: 1455-70 (2016) | Sichuan University | 2D 3D TSV |
26443011 | 21 | Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking. | J Med Chem 58: 8285-91 (2015) | Bioinformatics Institute (BII) | 2D 3D TSV |
26442778 | 15 | Discovery of wrightiadione as a novel template for the TrkA kinase inhibitors. | Bioorg Med Chem Lett 25: 5186-9 (2015) | Institute for Basic Science (IBS) | 2D 3D TSV |
26440714 | 28 | Synthesis, cholinesterase inhibition and molecular modelling studies of coumarin linked thiourea derivatives. | Bioorg Chem 63: 58-63 (2015) | Quaid-i-Azam University | 2D 3D TSV |
26436839 | 14 | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia | Nat Chem Biol 11: 878-86 (2015) | Albert Einstein College of Medicine | 2D 3D TSV |
26435514 | 11 | Preliminary evaluation of fluoro-pegylated benzyloxybenzenes for quantification of ?-amyloid plaques by positron emission tomography. | Eur J Med Chem 104: 86-96 (2015) | Beijing Normal University | 2D 3D TSV |
26435512 | 6 | Mutational mapping of the transmembrane binding site of the G-protein coupled receptor TGR5 and binding mode prediction of TGR5 agonists. | Eur J Med Chem 104: 57-72 (2015) | Heinrich Heine University | 2D 3D TSV |
26433631 | 6 | Antihyperlipidemic morpholine derivatives with antioxidant activity: An investigation of the aromatic substitution. | Bioorg Med Chem 23: 7015-23 (2015) | University of Athens | 2D 3D TSV |
26433449 | 29 | Discovery of the oxazabicyclo[3.3.1]nonane derivatives as potent and orally active GPR119 agonists. | Bioorg Med Chem Lett 25: 5291-4 (2015) | Merck Research Laboratory | 2D 3D TSV |
26433448 | 10 | A fragment of the Escherichia coli ClpB heat-shock protein is a micromolar melanocortin 1 receptor agonist. | Bioorg Med Chem Lett 25: 5306-8 (2015) | University of Minnesota | 2D 3D TSV |
26432614 | 18 | Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of a-glucosidases. | Bioorg Chem 63: 36-44 (2015) | Universiti Teknologi MARA | 2D 3D TSV |
26432608 | 13 | Development of novel dipeptide-like rhodesain inhibitors containing the 3-bromoisoxazoline warhead in a constrained conformation. | Bioorg Med Chem 23: 7053-60 (2015) | University of Messina | 2D 3D TSV |
26432607 | 60 | Click-tailed coumarins with potent and selective inhibitory action against the tumor-associated carbonic anhydrases IX and XII. | Bioorg Med Chem 23: 6955-66 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26432605 | 8 | 5-Lipoxygenase inhibitors suppress RANKL-induced osteoclast formation via NFATc1 expression. | Bioorg Med Chem 23: 7069-78 (2015) | Sookmyung Women's University | 2D 3D TSV |
26432604 | 10 | Evaluation of small molecule SecA inhibitors against methicillin-resistant Staphylococcus aureus. | Bioorg Med Chem 23: 7061-8 (2015) | Georgia State University | 2D 3D TSV |
26432037 | 14 | Monoamine oxidase inhibitory activities of heterocyclic chalcones. | Bioorg Med Chem Lett 25: 5270-6 (2015) | North-West University | 2D 3D TSV |
26432035 | 5 | Effects of alkyl side chains and terminal hydrophilicity on vitamin D receptor (VDR) agonistic activity based on the diphenylpentane skeleton. | Bioorg Med Chem Lett 25: 5362-6 (2015) | National Institute of Health Sciences | 2D 3D TSV |
26431428 | 36 | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). | J Med Chem 58: 8182-99 (2015) | WuXi AppTec Co., Ltd. | 2D 3D TSV |
26430967 | 29 | Novel Potent N-Methyl-d-aspartate (NMDA) Receptor Antagonists ors1 Receptor Ligands Based on Properly Substituted 1,4-Dioxane Ring. | J Med Chem 58: 8601-15 (2015) | Universit£ di Camerino | 2D 3D TSV |
26430878 | 102 | Synthesis of Fluorine-Containing Phosphodiesterase 10A (PDE10A) Inhibitors and the In Vivo Evaluation of F-18 Labeled PDE10A PET Tracers in Rodent and Nonhuman Primate. | J Med Chem 58: 8584-600 (2015) | Washington University | 2D 3D TSV |
26428873 | 1 | Identification of a molecular target of kurahyne, an apoptosis-inducing lipopeptide from marine cyanobacterial assemblages. | Bioorg Med Chem Lett 25: 5295-8 (2015) | Keio University | 2D 3D TSV |
26428872 | 6 | Design, synthesis, and biological evaluation of oxindole derivatives as antidepressive agents. | Bioorg Med Chem Lett 25: 5281-5 (2015) | Manipal College of Pharmaceutical Sciences | 2D 3D TSV |
26428871 | 11 | Discovery and structure-activity analysis of 4-((5-nitropyrimidin-4-yl)amino)benzimidamide derivatives as novel protein arginine methyltransferase 1 (PRMT1) inhibitors. | Bioorg Med Chem Lett 25: 5449-53 (2015) | Sichuan University | 2D 3D TSV |
26428869 | 7 | Discovery of dihydroquinazolinone derivatives as potent, selective, and CNS-penetrant M(1) and M(4) muscarinic acetylcholine receptors agonists. | Bioorg Med Chem Lett 25: 5357-61 (2015) | Sumitomo Dainippon Pharma Co., Ltd | 2D 3D TSV |
26426933 | 12 | Synthesis, Biological Evaluation, and Molecular Docking of (R)-2-((8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl)benzonitrile as Dipeptidyl Peptidase IV Inhibitors. | Chem Biol Drug Des 87: 290-5 (2016) | West China Hospital | 2D 3D TSV |
26426481 | 114 | Development of Novel, CNS Penetrant Positive Allosteric Modulators for the Metabotropic Glutamate Receptor Subtype 1 (mGlu1), Based on an N-(3-Chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl)-3-methylfuran-2-carboxamide Scaffold, That Potentiate Wild Type and Mutant mGlu1 Receptors Found in Schizophrenics | J Med Chem 58: 7959-71 (2015) | Vanderbilt University | 2D 3D TSV |
26425784 | 24 | Protostane Triterpenoids from the Rhizome of Alisma orientale Exhibit Inhibitory Effects on Human Carboxylesterase 2. | J Nat Prod 78: 2372-80 (2015) | Liaoning University of Traditional Chinese Medicine | 2D 3D TSV |
26422787 | 68 | Synthesis of novel acridine bis-sulfonamides with effective inhibitory activity against the carbonic anhydrase isoforms I, II, IX and XII. | Bioorg Med Chem 23: 6573-80 (2015) | Dumlupinar University | 2D 3D TSV |
26422006 | 13 | Inhibiting the Inflammasome: A Chemical Perspective. | J Med Chem 59: 1691-710 (2016) | The University of Manchester | 2D 3D TSV |
26421995 | 49 | Design, synthesis and biological evaluation of 3-aryl-rhodanine benzoic acids as anti-apoptotic protein Bcl-2 inhibitors. | Bioorg Med Chem Lett 25: 5265-9 (2015) | Shandong University | 2D 3D TSV |
26421993 | 44 | Structure-guided discovery of 2-aryl/pyridin-2-yl-1H-indole derivatives as potent and selective hepsin inhibitors. | Bioorg Med Chem Lett 25: 5309-14 (2015) | Aurigene Discovery Technologies Limited | 2D 3D TSV |
26421921 | 43 | Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as Phosphodiesterase 10A (PDE10A) Antagonists. | J Med Chem 58: 8292-308 (2015) | Glenmark Research Centre | 2D 3D TSV |
26420383 | 11 | Design, synthesis and structure-activity relationship studies of novel phenoxyacetamide-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes. | Bioorg Med Chem 23: 6666-72 (2015) | China Pharmaceutical University | 2D 3D TSV |
26419422 | 33 | Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands. | J Med Chem 58: 7796-806 (2015) | Max Planck Institute of Psychiatry | 2D 3D TSV |
26418966 | 16 | Novel 3-Substituted 7-Phenylpyrrolo[3,2-f]quinolin-9(6H)-ones as Single Entities with Multitarget Antiproliferative Activity. | J Med Chem 58: 7991-8010 (2015) | University of Padova | 2D 3D TSV |
26416255 | 15 | Harnessing Enzymatic Promiscuity in Myxochelin Biosynthesis for the Production of 5-Lipoxygenase Inhibitors. | Chembiochem 16: 2445-50 (2015) | Hans Knöll Institute | 2D 3D TSV |
26414808 | 48 | Ligand binding studies, preliminary structure-activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase. | Eur J Med Chem 103: 600-14 (2015) | Georgia Institute of Technology | 2D 3D TSV |
26411795 | 40 | Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase. | Bioorg Med Chem Lett 25: 5352-6 (2015) | Pfizer Inc | 2D 3D TSV |
26411794 | 46 | Conformationally restricted¿-opioid receptor agonists: Synthesis and pharmacological evaluation of diastereoisomeric and enantiomeric decahydroquinoxalines. | Bioorg Med Chem Lett 25: 5326-30 (2015) | Mercachem | 2D 3D TSV |
26410663 | 15 | Nitrogenated honokiol derivatives allosterically modulate GABAA receptors and act as strong partial agonists. | Bioorg Med Chem 23: 6757-62 (2015) | University of Graz | 2D 3D TSV |
26408817 | 69 | Isatin-pyrazole benzenesulfonamide hybrids potently inhibit tumor-associated carbonic anhydrase isoforms IX and XII. | Eur J Med Chem 103: 583-93 (2015) | Egyptian Russian University | 2D 3D TSV |
26408814 | 5 | Diethylstilbestrol-scaffold-based pregnane X receptor modulators. | Eur J Med Chem 103: 551-62 (2015) | University of Ljubljana | 2D 3D TSV |
26408454 | 51 | An integrated approach for discovery of highly potent and selective Mnk inhibitors: Screening, synthesis and SAR analysis. | Eur J Med Chem 103: 539-50 (2015) | University of South Australia | 2D 3D TSV |
26407012 | 80 | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic Acid (AZD9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. | J Med Chem 58: 8128-40 (2015) | AstraZeneca | 2D 3D TSV |
26406919 | 9 | Highly Substituted Cyclopentane-CMP Conjugates as Potent Sialyltransferase Inhibitors. | J Med Chem 58: 7972-90 (2015) | Peking University | 2D 3D TSV |
26403932 | 9 | Design, synthesis, and evaluation of new endomorphin analogs with enhanced central antinociception after peripheral administration. | Bioorg Med Chem Lett 25: 5393-7 (2015) | Lanzhou University | 2D 3D TSV |
26403930 | 56 | Identification of N-(1H-pyrazol-4-yl)carboxamide inhibitors of interleukin-1 receptor associated kinase 4: Bicyclic core modifications. | Bioorg Med Chem Lett 25: 5384-8 (2015) | Merck Research Laboratories | 2D 3D TSV |
26403928 | 30 | Design, synthesis, and biological evaluation of aminopyrazine derivatives as inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). | Bioorg Med Chem Lett 25: 5402-8 (2015) | Merck Research Laboratories | 2D 3D TSV |
26403853 | 32 | Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. | J Med Chem 58: 8054-65 (2015) | Roche Pharma Research and Early Development (pRED) | 2D 3D TSV |
26398141 | 14 | Evaluation of 2-indolcarbohydrazones as potent a-glucosidase inhibitors, in silico studies and DFT based stereochemical predictions. | Bioorg Chem 63: 24-35 (2015) | Universiti Teknologi MARA (UiTM) | 2D 3D TSV |
26398140 | 54 | 1-(4-Methane(amino)sulfonylphenyl)-3-(4-substituted-phenyl)-5-(4-trifluoromethylphenyl)-1H-2-pyrazolines/pyrazoles as potential anti-inflammatory agents. | Bioorg Chem 63: 13-23 (2015) | Beni-Suef University | 2D 3D TSV |
26397395 | 43 | Discovery of novel, potent and low-toxicity angiotensin II receptor type 1 (AT1) blockers: Design, synthesis and biological evaluation of 6-substituted aminocarbonyl benzimidazoles with a chiral center. | Eur J Med Chem 103: 473-87 (2015) | Beijing Institute of Technology | 2D 3D TSV |
26396691 | 20 | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. | ACS Med Chem Lett 6: 1019-24 (2015) | Hoffmann-La Roche Inc. | 2D 3D TSV |
26396690 | 21 | Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor. | ACS Med Chem Lett 6: 1015-8 (2015) | Janssen Research and Development LLC | 2D 3D TSV |
26396688 | 26 | Structure-Guided Design of Novel l-Cysteine Derivatives as Potent KSP Inhibitors. | ACS Med Chem Lett 6: 1004-9 (2015) | University of Shizuoka | 2D 3D TSV |
26396687 | 95 | Design, Synthesis, and Biological Evaluation of Indole Biphenylcarboxylic Acids as PPAR? Antagonists. | ACS Med Chem Lett 6: 998-1003 (2015) | The Scripps Research Institute | 2D 3D TSV |
26396685 | 19 | Oxopyrido[2,3-d]pyrimidines as Covalent L858R/T790M Mutant Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors. | ACS Med Chem Lett 6: 987-92 (2015) | Amgen Inc | 2D 3D TSV |
26396684 | 15 | Identification of Bidentate Salicylic Acid Inhibitors of PTP1B. | ACS Med Chem Lett 6: 982-6 (2015) | University of Toronto Mississauga | 2D 3D TSV |
26396681 | 58 | Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma. | ACS Med Chem Lett 6: 961-5 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26396680 | 6 | RORc Modulators for the Treatment of Autoimmune Diseases. | ACS Med Chem Lett 6: 958-60 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26396679 | 6 | Nav1.7 Inhibitors: Potential Effective Therapy for the Treatment of Chronic Pain. | ACS Med Chem Lett 6: 956-7 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26396678 | 5 | Kynurenine Monooxygenase (KMO) Inhibitors for the Treatment of Acute Pancreatitis and Neurodegenerative Disorders. | ACS Med Chem Lett 6: 954-5 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26395057 | 48 | From carbohydrates to drug-like fragments: Rational development of novela-amylase inhibitors. | Bioorg Med Chem 23: 6725-32 (2015) | Freie Universit£t Berlin | 2D 3D TSV |
26394156 | 11 | Mechanism of MenE inhibition by acyl-adenylate analogues and discovery of novel antibacterial agents. | Biochemistry 54: 6514-24 (2015) | Argonne National Laboratory | 2D 3D TSV |
26394152 | 13 | Synthesis and Biological Evaluation of Manassantin Analogues for Hypoxia-Inducible Factor 1? Inhibition. | J Med Chem 58: 7659-71 (2015) | Duke University | 2D 3D TSV |
26393374 | 34 | Improving the Selectivity of Engineered Protease Inhibitors: Optimizing the P2 Prime Residue Using a Versatile Cyclic Peptide Library. | J Med Chem 58: 8257-68 (2015) | Queensland University of Technology | 2D 3D TSV |
26393276 | 2 | Navigating CYP1A Induction and Arylhydrocarbon Receptor Agonism in Drug Discovery. A Case History with S1P1 Agonists. | J Med Chem 58: 8236-56 (2015) | GlaxoSmithKline | 2D 3D TSV |
26392370 | 66 | 1,3,7-Triethyl-substituted xanthines--possess nanomolar affinity for the adenosine A1 receptor. | Bioorg Med Chem 23: 6641-9 (2015) | North-West University | 2D 3D TSV |
26390252 | 12 | Characterization of DDR2 Inhibitors for the Treatment of DDR2 Mutated Nonsmall Cell Lung Cancer. | ACS Chem Biol 10: 2687-96 (2015) | Dana-Farber Cancer Institute Inc | 2D 3D TSV |
26390175 | 10 | Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening. | J Med Chem 58: 8166-81 (2015) | Shanghai University | 2D 3D TSV |
26390077 | 42 | Tactical Approaches to Interconverting GPCR Agonists and Antagonists. | J Med Chem 59: 810-40 (2016) | University of Minnesota | 2D 3D TSV |
26386821 | 15 | Synthesis of chiral ND-322, ND-364 and ND-364 derivatives as selective inhibitors of human gelatinase. | Bioorg Med Chem 23: 6632-40 (2015) | Shandong University | 2D 3D TSV |
26386819 | 12 | Rhododendrol glycosides as stereospecific tyrosinase inhibitors. | Bioorg Med Chem 23: 6650-8 (2015) | Tokyo University of Agriculture and Technology | 2D 3D TSV |
26386604 | 71 | Non-basic azolotriazinone MCHR1 antagonists for the treatment of obesity: An empirical brain-exposures-driven candidate selection for in vivo efficacy studies. | Bioorg Med Chem Lett 25: 4412-8 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
26386602 | 97 | Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase. | Bioorg Med Chem Lett 25: 4405-11 (2015) | Virginia Tech | 2D 3D TSV |
26385446 | 22 | A novel family of diarylpyrimidines (DAPYs) featuring a diatomic linker: Design, synthesis and anti-HIV activities. | Bioorg Med Chem 23: 6587-93 (2015) | Wuhan Institute of Technology | 2D 3D TSV |
26385444 | 74 | Design, synthesis and pharmacological evaluation of pyrimidobenzothiazole-3-carboxylate derivatives as selective L-type calcium channel blockers. | Bioorg Med Chem 23: 6689-713 (2015) | Rashtrasant Tukadoji Maharaj Nagpur University | 2D 3D TSV |
26384288 | 29 | Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis(aryloxy)benzene derivatives. | Bioorg Med Chem Lett 25: 4387-92 (2015) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
26384287 | 65 | Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors. | Bioorg Med Chem Lett 25: 4441-6 (2015) | Kangwon National University | 2D 3D TSV |
26383128 | 121 | Converting maslinic acid into an effective inhibitor of acylcholinesterases. | Eur J Med Chem 103: 438-45 (2015) | Martin-Luther-Universit£t Halle-Wittenberg | 2D 3D TSV |
26383127 | 13 | Design of novel 3,6-diazabicyclo[3.1.1]heptane derivatives with potent and selective affinities fora4ß2 neuronal nicotinic acetylcholine receptors. | Eur J Med Chem 103: 429-37 (2015) | University of Sassari | 2D 3D TSV |
26378882 | 45 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. | J Med Chem 58: 7888-94 (2015) | Merck Research Laboratories | 2D 3D TSV |
26378740 | 37 | 1,4-Oxazineß-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads. | J Med Chem 58: 8216-35 (2015) | Janssen Pharmaceutica NV | 2D 3D TSV |
26376355 | 14 | Investigation on the ZBG-functionality of phenyl-4-yl-acrylohydroxamic acid derivatives as histone deacetylase inhibitors. | Bioorg Med Chem Lett 25: 4457-60 (2015) | University of Milan | 2D 3D TSV |
26375725 | 20 | Quaternary Indolizidine and Indolizidone Iminosugars as Potential Immunostimulating and Glycosidase Inhibitory Agents: Synthesis, Conformational Analysis, Biological Activity, and Molecular Docking Study. | J Med Chem 58: 7820-32 (2015) | Savitribai Phule Pune University (Formerly University of Pune) | 2D 3D TSV |
26372652 | 21 | Pentafluorosulfanyl-containing flufenamic acid analogs: Syntheses, properties and biological activities. | Bioorg Med Chem Lett 25: 4437-40 (2015) | RWTH Aachen University | 2D 3D TSV |
26372651 | 8 | Phenothiazine-based CaaX competitive inhibitors of human farnesyltransferase bearing a cysteine, methionine, serine or valine moiety as a new family of antitumoral compounds. | Bioorg Med Chem Lett 25: 4447-52 (2015) | Alexandru Ioan Cuza University | 2D 3D TSV |
26372650 | 9 | Design, synthesis and biological evaluation of novel pyrazolo-pyrimidinones as DPP-IV inhibitors in diabetes. | Bioorg Med Chem Lett 25: 4428-33 (2015) | National Institute of Pharmaceutical Education and Research-Ahmedabad | 2D 3D TSV |
26372074 | 17 | Soluble epoxide hydrolase inhibitory activity of anthraquinone components from Aloe. | Bioorg Med Chem 23: 6659-65 (2015) | Chungnam National University | 2D 3D TSV |
26372073 | 1 | Reengineered tricyclic anti-cancer agents. | Bioorg Med Chem 23: 6528-34 (2015) | Icahn School of Medicine at Mt. Sinai | 2D 3D TSV |
26371436 | 14 | Structure-Based Inhibitor Design for Evaluation of a CYP3A4 Pharmacophore Model. | J Med Chem 59: 4210-20 (2016) | University of California Irvine | 2D 3D TSV |
26367539 | 22 | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. | J Med Chem 59: 1492-500 (2016) | University of Dundee | 2D 3D TSV |
26367450 | 4 | New coumarin-based fluorescent melatonin ligands. Design, synthesis and pharmacological characterization. | Eur J Med Chem 103: 370-3 (2015) | IQM-CSIC | 2D 3D TSV |
26367391 | 6 | Phenylalanine and Phenylglycine Analogues as Arginine Mimetics in Dengue Protease Inhibitors. | J Med Chem 58: 7719-33 (2015) | Heidelberg University | 2D 3D TSV |
26367138 | 12 | Design, Virtual Screening, and Synthesis of Antagonists ofaIIbß3 as Antiplatelet Agents. | J Med Chem 58: 7681-94 (2015) | A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine | 2D 3D TSV |
26367019 | 8 | Chemical Synthesis and Biological Activities of 20S,24S/R-Dihydroxyvitamin D3 Epimers and Their 1a-Hydroxyl Derivatives. | J Med Chem 58: 7881-7 (2015) | Veterans Affairs Medical Center | 2D 3D TSV |
26365710 | 26 | Design, synthesis, and biological evaluation of amide imidazole derivatives as novel metabolic enzyme CYP26A1 inhibitors. | Bioorg Med Chem 23: 6763-73 (2015) | Shenyang Pharmaceutical University | 2D 3D TSV |
26364942 | 9 | Progress in the development of fatty acid synthase inhibitors as anticancer targets. | Bioorg Med Chem Lett 25: 4363-9 (2015) | University of South Alabama | 2D 3D TSV |
26364932 | 22 | Structure and Inhibition of Microbiome ß-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity. | Chem Biol 22: 1238-49 (2015) | University of North Carolina at Chapel Hill | 2D 3D TSV |
26363872 | 19 | Synthesis and structure-activity relationship study of benzofuran-based chalconoids bearing benzylpyridinium moiety as potent acetylcholinesterase inhibitors. | Eur J Med Chem 103: 361-9 (2015) | Alzahra University | 2D 3D TSV |
26363871 | 7 | Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally active antibacterial agents. | Eur J Med Chem 103: 354-60 (2015) | Wakunaga Pharmaceutical Co., Ltd. | 2D 3D TSV |
26363870 | 32 | Synthesis and evaluation of 1-hydroxy/methoxy-4-methyl-2-phenyl-1H-imidazole-5-carboxylic acid derivatives as non-purine xanthine oxidase inhibitors. | Eur J Med Chem 103: 343-53 (2015) | Shenyang Pharmaceutical University | 2D 3D TSV |
26363868 | 10 | 3-Nitrotriazole-based piperazides as potent antitrypanosomal agents. | Eur J Med Chem 103: 325-34 (2015) | NorthShore University HealthSystem | 2D 3D TSV |
26363867 | 2 | ¿(5)-Cholenoyl-amino acids as selective and orally available antagonists of the Eph-ephrin system. | Eur J Med Chem 103: 312-24 (2015) | Universit£ degli Studi di Parma | 2D 3D TSV |
26363866 | 39 | New multifunctional melatonin-derived benzylpyridinium bromides with potent cholinergic, antioxidant, and neuroprotective properties as innovative drugs for Alzheimer's disease. | Eur J Med Chem 103: 302-11 (2015) | 1st Affiliated Hospital of Guangxi Medical University | 2D 3D TSV |
26363507 | 88 | Synthesis and SAR of Imidazo[1,5-a]pyridine derivatives as 5-HT4 receptor partial agonists for the treatment of cognitive disorders associated with Alzheimer's disease. | Eur J Med Chem 103: 289-301 (2015) | Suven Life Sciences Ltd. | 2D 3D TSV |
26363506 | 44 | Discovery of highly potent renin inhibitors potentially interacting with the S3' subsite of renin. | Eur J Med Chem 103: 269-88 (2015) | China Pharmaceutical University | 2D 3D TSV |
26363505 | 9 | Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators. | Eur J Med Chem 103: 252-68 (2015) | University of Illinois at Chicago | 2D 3D TSV |
26362113 | 14 | Synthesis, In vitro and Docking Studies of New Flavone Ethers as a-Glucosidase Inhibitors. | Chem Biol Drug Des 87: 361-73 (2016) | Universiti Teknologi MARA | 2D 3D TSV |
26361824 | 20 | Inhibitor versus chaperone behaviour of d-fagomine, DAB and LAB sp(2)-iminosugar conjugates against glycosidases: A structure-activity relationship study in Gaucher fibroblasts. | Eur J Med Chem 121: 880-891 (2016) | University of Seville | 2D 3D TSV |
26360048 | 21 | (2-Arylethenyl)-1,3,5-triazin-2-amines as a novel histamine H4 receptor ligands. | Eur J Med Chem 103: 238-51 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
26359549 | 16 | Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target. | J Med Chem 58: 7707-18 (2015) | The University of Sydney | 2D 3D TSV |
26358280 | 5 | Novel inhibitors targeting PPM1D phosphatase potently suppress cancer cell proliferation. | Bioorg Med Chem 23: 6246-9 (2015) | Hokkaido University | 2D 3D TSV |
26358162 | 27 | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. | Bioorg Med Chem Lett 25: 4370-81 (2015) | Bayer HealthCare AG | 2D 3D TSV |
26358159 | 114 | Discovery of (phenoxy-2-hydroxypropyl)piperidines as a novel class of voltage-gated sodium channel 1.7 inhibitors. | Bioorg Med Chem Lett 25: 5419-23 (2015) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
26358009 | 8 | Oxidative Reactivities of 2-Furylquinolines: Ubiquitous Scaffolds in Common High-Throughput Screening Libraries. | J Med Chem 58: 7419-30 (2015) | University of Minnesota | 2D 3D TSV |
26356532 | 39 | Discovery of Molecular Therapeutics for Glaucoma: Challenges, Successes, and Promising Directions. | J Med Chem 59: 788-809 (2016) | Georgia Institute of Technology | 2D 3D TSV |
26356364 | 41 | Discovery, Development, and SAR of Aminothiazoles as LIMK Inhibitors with Cellular Anti-Invasive Properties. | J Med Chem 58: 8309-13 (2015) | Cancer Research Technology | 2D 3D TSV |
26356253 | 2 | OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands. | J Med Chem 59: 4171-88 (2016) | Harvard University | 2D 3D TSV |
26355916 | 106 | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). | J Med Chem 58: 7431-48 (2015) | GlaxoSmithKline | 2D 3D TSV |
26355532 | 18 | Discovery of potent and selective cytotoxic activity of new quinazoline-ureas against TMZ-resistant glioblastoma multiforme (GBM). | Eur J Med Chem 103: 210-22 (2015) | Korea University of Science and Technology (UST) | 2D 3D TSV |
26355531 | 7 | Structure-activity relationships for lipoprotein lipase agonists that lower plasma triglycerides in vivo. | Eur J Med Chem 103: 191-209 (2015) | Ume£ University | 2D 3D TSV |
26352677 | 44 | Novel 2H-chromen-2-one derivatives of resveratrol: Design, synthesis, modeling and use as human monoamine oxidase inhibitors. | Eur J Med Chem 103: 185-90 (2015) | Hefei University of Technology | 2D 3D TSV |
26352676 | 29 | Cyclic alpha-conotoxin peptidomimetic chimeras as potent GLP-1R agonists. | Eur J Med Chem 103: 175-84 (2015) | The University of Queensland | 2D 3D TSV |
26352675 | 1 | Novel aminotetrazole derivatives as selective STAT3 non-peptide inhibitors. | Eur J Med Chem 103: 163-74 (2015) | University of Franche-Comt£ | 2D 3D TSV |
26351878 | 24 | Structure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity. | J Med Chem 58: 7833-49 (2015) | University of Kansas | 2D 3D TSV |
26351728 | 96 | Benzimidazole Derivatives as Potent JAK1-Selective Inhibitors. | J Med Chem 58: 7596-602 (2015) | Konkuk University | 2D 3D TSV |
26349627 | 133 | Discovery and SAR of novel pyrazolo[1,5-a]pyrimidines as inhibitors of CDK9. | Bioorg Med Chem 23: 6280-96 (2015) | The University of Melbourne | 2D 3D TSV |
26348881 | 54 | Identification of Substituted Naphthotriazolediones as Novel Tryptophan 2,3-Dioxygenase (TDO) Inhibitors through Structure-Based Virtual Screening. | J Med Chem 58: 7807-19 (2015) | National Health Research Institutes | 2D 3D TSV |
26348784 | 22 | Design, Synthesis, and Evaluation of Triazole Derivatives That Induce Nrf2 Dependent Gene Products and Inhibit the Keap1-Nrf2 Protein-Protein Interaction. | J Med Chem 58: 7186-94 (2015) | University College London | 2D 3D TSV |
26348111 | 32 | Synthesis and Characterization in Vitro and in Vivo of (l)-(Trimethylsilyl)alanine Containing Neurotensin Analogues. | J Med Chem 58: 7785-95 (2015) | University of Montpellier | 2D 3D TSV |
26347950 | 32 | Phosphate Chemical Probes Designed for Location Specific Inhibition of Intracellular Carbonic Anhydrases. | J Med Chem 58: 7580-90 (2015) | Griffith University | 2D 3D TSV |
26346669 | 53 | Synthesis of new opioid derivatives with a propellane skeleton and their pharmacologies: Part 5, novel pentacyclic propellane derivatives with a 6-amide side chain. | Bioorg Med Chem 23: 6271-9 (2015) | University of Tsukuba | 2D 3D TSV |
26346367 | 77 | Sulfonamide derivatives containing dihydropyrazole moieties selectively and potently inhibit MMP-2/MMP-9: Design, synthesis, inhibitory activity and 3D-QSAR analysis. | Bioorg Med Chem Lett 25: 4664-71 (2015) | Nanjing University | 2D 3D TSV |
26344911 | 10 | Ynamide Click chemistry in development of triazole VEGFR2 TK modulators. | Eur J Med Chem 103: 105-22 (2015) | University of Strasburg | 2D 3D TSV |
26344596 | 66 | Revisiting 1,3,4-Oxadiazol-2-ones: Utilization in the Development of ABHD6 Inhibitors. | Bioorg Med Chem 23: 6335-45 (2015) | University of Eastern Finland | 2D 3D TSV |
26344595 | 26 | Synthesis and biological evaluation of novel 7-substituted 3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amines as potent Bruton's tyrosine kinase (BTK) inhibitors. | Bioorg Med Chem 23: 6250-7 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
26344593 | 5 | Discovery of potent nitrotriazole-based antitrypanosomal agents: In vitro and in vivo evaluation. | Bioorg Med Chem 23: 6467-76 (2015) | NorthShore University HealthSystem | 2D 3D TSV |
26344591 | 18 | Synthesis, antiangiogenesis evaluation and molecular docking studies of 1-aryl-3-[(thieno[3,2-b]pyridin-7-ylthio)phenyl]ureas: Discovery of a new substitution pattern for type II VEGFR-2 Tyr kinase inhibitors. | Bioorg Med Chem 23: 6497-509 (2015) | Universidade do Minho | 2D 3D TSV |
26343830 | 15 | New arylalkanones from Horsfieldia macrobotrys, effective antidiabetic agents concomitantly inhibitinga-glucosidase and free radicals. | Bioorg Med Chem Lett 25: 4529-33 (2015) | Chulalongkorn University | 2D 3D TSV |
26343826 | 53 | Discovery of a potent enoyl-acyl carrier protein reductase (FabI) inhibitor suitable for antistaphylococcal agent. | Bioorg Med Chem Lett 25: 4481-6 (2015) | The Catholic University of Korea | 2D 3D TSV |
26342868 | 14 | Identification of novel PARP-1 inhibitors: Drug design, synthesis and biological evaluation. | Bioorg Med Chem Lett 25: 4557-61 (2015) | China Pharmaceutical University | 2D 3D TSV |
26342867 | 52 | Discovery of 6-phenylimidazo[2,1-b]thiazole derivatives as a new type of FLT3 inhibitors. | Bioorg Med Chem Lett 25: 4534-8 (2015) | Sichuan University | 2D 3D TSV |
26342544 | 9 | Design, synthesis, and pharmacological evaluation of JDTic analogs to examine the significance of the 3- and 4-methyl substituents. | Bioorg Med Chem 23: 6379-88 (2015) | Research Triangle Institute | 2D 3D TSV |
26342135 | 39 | Synthesis, biological evaluation and 3D-QSAR studies of imidazolidine-2,4-dione derivatives as novel protein tyrosine phosphatase 1B inhibitors. | Eur J Med Chem 103: 91-104 (2015) | Tianjin Medical University | 2D 3D TSV |
26342134 | 39 | Discovery of novel VEGFR-2 inhibitors. Part 5: Exploration of diverse hinge-binding fragments via core-refining approach. | Eur J Med Chem 103: 80-90 (2015) | The First Affiliated Hospital of Xi'an Jiaotong University | 2D 3D TSV |
26340601 | 54 | Recent Update on Human Lactate Dehydrogenase Enzyme 5 (hLDH5) Inhibitors: A Promising Approach for Cancer Chemotherapy. | J Med Chem 59: 487-96 (2016) | National Cancer Institute-CRO | 2D 3D TSV |
26338362 | 40 | Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. | Bioorg Med Chem Lett 25: 4728-32 (2015) | Genentech | 2D 3D TSV |
26337021 | 40 | Discovery and SAR study of 3-(tert-butyl)-4-hydroxyphenyl benzoate and benzamide derivatives as novel farnesoid X receptor (FXR) antagonists. | Bioorg Med Chem 23: 6427-36 (2015) | East China University of Science and Technology | 2D 3D TSV |
26337020 | 69 | Synthesis of a series of unsaturated ketone derivatives as selective and reversible monoamine oxidase inhibitors. | Bioorg Med Chem 23: 6486-96 (2015) | Korea Institute of Science and Technology | 2D 3D TSV |
26337019 | 22 | Design and synthesis of 4-benzylpiperidine carboxamides as dual serotonin and norepinephrine reuptake inhibitors. | Bioorg Med Chem 23: 6418-26 (2015) | Chonnam National University | 2D 3D TSV |
26337018 | 44 | Multifunctional novel Diallyl disulfide (DADS) derivatives withß-amyloid-reducing, cholinergic, antioxidant and metal chelating properties for the treatment of Alzheimer's disease. | Bioorg Med Chem 23: 6389-403 (2015) | University of Delhi | 2D 3D TSV |
26335039 | 320 | Discovery of a Selective and CNS Penetrant Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 3 with Antidepressant and Anxiolytic Activity in Rodents. | J Med Chem 58: 7485-500 (2015) | Vanderbilt University Medical Center | 2D 3D TSV |
26334942 | 43 | Highly Potent and Selective MT2 Melatonin Receptor Full Agonists from Conformational Analysis of 1-Benzyl-2-acylaminomethyl-tetrahydroquinolines. | J Med Chem 58: 7512-25 (2015) | Universit£ degli Studi di Urbino"Carlo Bo" | 2D 3D TSV |
26331986 | 6 | Phenolic Compounds from the Leaves and Twigs of Osteomeles schwerinae That Inhibit Rat Lens Aldose Reductase and Vessel Dilation in Zebrafish Larvae. | J Nat Prod 78: 2249-54 (2015) | Institute of Oriental Medicine | 2D 3D TSV |
26331552 | 37 | Rational Development of a Potent 15-Lipoxygenase-1 Inhibitor with in Vitro and ex Vivo Anti-inflammatory Properties. | J Med Chem 58: 7850-62 (2015) | University of Groningen | 2D 3D TSV |
26331426 | 11 | Hirsutinolide Series Inhibit Stat3 Activity, Alter GCN1, MAP1B, Hsp105, G6PD, Vimentin, TrxR1, and Importina-2 Expression, and Induce Antitumor Effects against Human Glioma. | J Med Chem 58: 7734-48 (2015) | University of Hawaii at Hilo | 2D 3D TSV |
26331334 | 99 | Discovery of Novel Class I Histone Deacetylase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities. | J Med Chem 58: 7672-80 (2015) | Guangzhou Institute of Biomedicine and Health | 2D 3D TSV |
26331194 | 20 | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. | J Med Chem 58: 7763-74 (2015) | University of Alabama at Birmingham | 2D 3D TSV |
26330078 | 51 | Synthesis and biological evaluation of 2-alkyl-2-methoxymethyl-salvinorin ethers as selective¿-opioid receptor agonists. | Bioorg Med Chem Lett 25: 4689-92 (2015) | Harvard Medical School | 2D 3D TSV |
26323872 | 49 | Design and synthesis of novel bivalent ligands (MOR and DOR) by conjugation of enkephalin analogues with 4-anilidopiperidine derivatives. | Bioorg Med Chem Lett 25: 4683-8 (2015) | University of Arizona | 2D 3D TSV |
26322835 | 96 | Towards the evaluation in an animal disease model: Fluorinated 17ß-HSD1 inhibitors showing strong activity towards both the human and the rat enzyme. | Eur J Med Chem 103: 56-68 (2015) | Saarland University | 2D 3D TSV |
26322748 | 7 | Structure-Activity Relationship Studies of Orally Active Antimalarial 2,4-Diamino-thienopyrimidines. | J Med Chem 58: 7572-9 (2015) | University of Cape Town | 2D 3D TSV |
26322631 | 1 | Characterization of 2,4-Diamino-6-oxo-1,6-dihydropyrimidin-5-yl Ureido Based Inhibitors of Trypanosoma brucei FolD and Testing for Antiparasitic Activity. | J Med Chem 58: 7938-48 (2015) | University of Dundee | 2D 3D TSV |
26322531 | 73 | Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro. | J Med Chem 58: 7328-40 (2015) | Kitasato University | 2D 3D TSV |
26322521 | 6 | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. | Biochemistry 54: 5878-87 (2015) | The University of Kansas Medical Center | 2D 3D TSV |
26322379 | 16 | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. | J Med Chem 58: 7400-8 (2015) | University of Toyama | 2D 3D TSV |
26321603 | 8 | Synthesis and anticancer effects evaluation of 1-alkyl-3-(6-(2-methoxy-3-sulfonylaminopyridin-5-yl)benzo[d]thiazol-2-yl)urea as anticancer agents with low toxicity. | Bioorg Med Chem 23: 6477-85 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
26321361 | 56 | Identification of N-sulfonyl-tetrahydroquinolines as RORc inverse agonists. | Bioorg Med Chem Lett 25: 4109-13 (2015) | Genentech | 2D 3D TSV |
26321360 | 63 | N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1-XPF. | Bioorg Med Chem Lett 25: 4104-8 (2015) | MRC Technology | 2D 3D TSV |
26321079 | 3 | Synthesis and Structure-Activity Relationships of Quaternary Coptisine Derivatives as Potential Anti-ulcerative Colitis Agents. | J Med Chem 58: 7557-71 (2015) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
26320624 | 45 | Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. | Bioorg Med Chem Lett 25: 4642-7 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26320622 | 10 | Novel bivalent inhibitors with sub-nanomolar affinities towards human glyoxalase I. | Bioorg Med Chem Lett 25: 4724-7 (2015) | Chengdu University | 2D 3D TSV |
26320621 | 13 | Design, synthesis and biological evaluation of novel tetrahydroisoquinoline derivatives as potential PDE4 inhibitors. | Bioorg Med Chem Lett 25: 4610-4 (2015) | South China Agricultural University | 2D 3D TSV |
26320619 | 88 | Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2). | Bioorg Med Chem Lett 25: 4265-9 (2015) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
26319622 | 12 | Cyclodextrin complexation highly enhances efficacy of arylsulfonylureido benzenesulfonamide carbonic anhydrase inhibitors as a topical antiglaucoma agents. | Bioorg Med Chem 23: 6223-7 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26319621 | 32 | Design and discovery of 2-(4-(1H-tetrazol-5-yl)-1H-pyrazol-1-yl)-4-(4-phenyl)thiazole derivatives as cardiotonic agents via inhibition of PDE3. | Bioorg Med Chem 23: 6111-7 (2015) | DaQing Oil Field General Hospital | 2D 3D TSV |
26318999 | 70 | Development of a novel tricyclic class of potent and selective FIXa inhibitors. | Bioorg Med Chem Lett 25: 5437-43 (2015) | Merck Research Laboratories | 2D 3D TSV |
26318998 | 1 | Probing a 3,4'-bis-guanidinium diaryl derivative as an allosteric inhibitor of the Ras pathway. | Bioorg Med Chem Lett 25: 4287-92 (2015) | Trinity College | 2D 3D TSV |
26318997 | 16 | Integrated kinetic studies and computational analysis on naphthyl chalcones as mushroom tyrosinase inhibitors. | Bioorg Med Chem Lett 25: 4085-91 (2015) | University of Technology Sydney | 2D 3D TSV |
26318993 | 65 | Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF. | Bioorg Med Chem Lett 25: 4097-103 (2015) | MRC Technology | 2D 3D TSV |
26318067 | 34 | Discovery of 4-arylamido 3-methyl isoxazole derivatives as novel FMS kinase inhibitors. | Eur J Med Chem 102: 600-10 (2015) | Hanyang University | 2D 3D TSV |
26318056 | 25 | Investigation of new 2-aryl substituted Benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors targeting vascular endothelial growth factor receptor 2. | Eur J Med Chem 103: 29-43 (2015) | Universit£ di Pisa | 2D 3D TSV |
26318054 | 48 | 4-Aminoquinoline derivatives as novel Mycobacterium tuberculosis GyrB inhibitors: Structural optimization, synthesis and biological evaluation. | Eur J Med Chem 103: 1-16 (2015) | Birla Institute of Technology | 2D 3D TSV |
26317591 | 51 | Orexin Receptor Antagonists: New Therapeutic Agents for the Treatment of Insomnia. | J Med Chem 59: 504-30 (2016) | Merck Research Laboratories | 2D 3D TSV |
26317331 | 41 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptora and the Proton-Coupled Folate Transporter in Human Tumors. | J Med Chem 58: 6938-59 (2015) | Duquesne University | 2D 3D TSV |
26316468 | 53 | Design, synthesis and biological evaluation of multifunctional ligands targeting opioid and bradykinin 2 receptors. | Bioorg Med Chem Lett 25: 4148-52 (2015) | University of Arizona | 2D 3D TSV |
26316467 | 2 | Dicarabrol, a new dimeric sesquiterpene from Carpesium abrotanoides L. | Bioorg Med Chem Lett 25: 4082-4 (2015) | Hunan University of Chinese Medicine | 2D 3D TSV |
26316466 | 8 | Discovery of novel nonpeptide allosteric inhibitors interrupting the interaction of CDK2/cyclin A3 by virtual screening and bioassays. | Bioorg Med Chem Lett 25: 4069-73 (2015) | Dalian Medical University | 2D 3D TSV |
26314925 | 24 | Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors. | Bioorg Med Chem 23: 6173-84 (2015) | Fudan University | 2D 3D TSV |
26314922 | 2 | Imidazopyridines as a source of biological activity and their pharmacological potentials-Infrared and Raman spectroscopic evidence of their content in pharmaceuticals and plant materials. | Bioorg Med Chem 23: 6087-99 (2015) | Wroclaw University of Economics | 2D 3D TSV |
26314339 | 2 | Identification of A Novel Small-Molecule Binding Site of the Fat Mass and Obesity Associated Protein (FTO). | J Med Chem 58: 7341-8 (2015) | Zhengzhou University | 2D 3D TSV |
26313429 | 155 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective | J Med Chem 58: 7526-48 (2015) | Eli Lilly and Company | 2D 3D TSV |
26313252 | 22 | Discovery and Evaluation of Clinical Candidate AZD3759, a Potent, Oral Active, Central Nervous System-Penetrant, Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor. | J Med Chem 58: 8200-15 (2015) | AstraZeneca | 2D 3D TSV |
26312434 | 1 | Recent developments regarding the use of thieno[2,3-d]pyrimidin-4-one derivatives in medicinal chemistry, with a focus on their synthesis and anticancer properties. | Eur J Med Chem 102: 552-73 (2015) | Xinjiang Technical Institute of Physics and Chemistry | 2D 3D TSV |
26312433 | 20 | Design, synthesis and evaluation of thiohydantoin derivatives as potent topoisomerase I (Top1) inhibitors with anticancer activity. | Eur J Med Chem 102: 540-51 (2015) | Shiv Nadar University | 2D 3D TSV |
26310895 | 29 | Quinazolinedione SIRT6 inhibitors sensitize cancer cells to chemotherapeutics. | Eur J Med Chem 102: 530-9 (2015) | University of Genoa | 2D 3D TSV |
26310893 | 4 | Synthesis and inhibitory effects of novel pyrimido-pyrrolo-quinoxalinedione analogues targeting nucleoproteins of influenza A virus H1N1. | Eur J Med Chem 102: 477-86 (2015) | Genomics Research Center | 2D 3D TSV |
26310891 | 13 | Discovery of indole-based tetraarylimidazoles as potent inhibitors of urease with low antilipoxygenase activity. | Eur J Med Chem 102: 464-70 (2015) | University of the Punjab | 2D 3D TSV |
26310890 | 66 | Structure-activity study of quinazoline derivatives leading to the discovery of potent EGFR-T790M inhibitors. | Eur J Med Chem 102: 445-63 (2015) | Qilu Pharmaceutical Co., Ltd | 2D 3D TSV |
26309148 | 43 | 6-Hydroxy-1,2,4-triazine-3,5(2H,4H)-dione Derivatives as Novel D-Amino Acid Oxidase Inhibitors. | J Med Chem 58: 7258-72 (2015) | Johns Hopkins University | 2D 3D TSV |
26308095 | 138 | Discovery of the Once-Weekly Glucagon-Like Peptide-1 (GLP-1) Analogue Semaglutide. | J Med Chem 58: 7370-80 (2015) | Novo Nordisk A/S | 2D 3D TSV |
26306982 | 4 | Novel 11ß-HSD1 inhibitors: C-1 versus C-2 substitution and effect of the introduction of an oxygen atom in the adamantane scaffold. | Bioorg Med Chem Lett 25: 4250-3 (2015) | Universitat de Barcelona | 2D 3D TSV |
26306007 | 13 | Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies. | J Med Chem 58: 6994-7006 (2015) | Purdue University | 2D 3D TSV |
26305181 | 13 | Discovery of Potent 17ß-Hydroxywithanolides for Castration-Resistant Prostate Cancer by High-Throughput Screening of a Natural Products Library for Androgen-Induced Gene Expression Inhibitors. | J Med Chem 58: 6984-93 (2015) | University of Arizona | 2D 3D TSV |
26303893 | 93 | A novel series of indazole-/indole-based glucagon receptor antagonists. | Bioorg Med Chem Lett 25: 4143-7 (2015) | Merck Research Laboratories | 2D 3D TSV |
26301559 | 10 | Exploration of the molecular architecture of the orthosteric binding site in thea4ß2 nicotinic acetylcholine receptor with analogs of 3-(dimethylamino)butyl dimethylcarbamate (DMABC) and 1-(pyridin-3-yl)-1,4-diazepane. | Eur J Med Chem 102: 425-44 (2015) | University of Copenhagen | 2D 3D TSV |
26301554 | 49 | Recent developments in steroidal and nonsteroidal aromatase inhibitors for the chemoprevention of estrogen-dependent breast cancer. | Eur J Med Chem 102: 375-86 (2015) | American University of Ras Al Khaimah | 2D 3D TSV |
26299827 | 43 | Discovery of 5-substituted tetrahydronaphthalen-2yl-methyl with N-phenyl-N-(piperidin-4-yl)propionamide derivatives as potent opioid receptor ligands. | Bioorg Med Chem 23: 6185-94 (2015) | University of Arizona | 2D 3D TSV |
26299826 | 112 | 1,4-Disubstituted aromatic piperazines with high 5-HT2A/D2 selectivity: Quantitative structure-selectivity investigations, docking, synthesis and biological evaluation. | Bioorg Med Chem 23: 6195-209 (2015) | Friedrich-Alexander University | 2D 3D TSV |
26299766 | 13 | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. | J Med Chem 58: 7349-69 (2015) | University of Minnesota | 2D 3D TSV |
26299350 | 34 | Discovery, synthesis and biochemical profiling of purine-2,6-dione derivatives as inhibitors of the human poly(A)-selective ribonuclease Caf1. | Bioorg Med Chem Lett 25: 4219-24 (2015) | University of Nottingham | 2D 3D TSV |
26299349 | 66 | Design and synthesis of N-[6-(Substituted Aminoethylideneamino)-2-Hydroxyindan-1-yl]arylamides as selective and potent muscarinic M1 agonists. | Bioorg Med Chem Lett 25: 4158-63 (2015) | Eli Lilly and Company | 2D 3D TSV |
26299347 | 4 | Optimization of a small molecule probe that restores e-cadherin expression. | Bioorg Med Chem Lett 25: 4260-4 (2015) | Vanderbilt University Medical Center | 2D 3D TSV |
26298499 | 47 | The imidazo[1,2-a]pyridine ring system as a scaffold for potent dual phosphoinositide-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitors. | Bioorg Med Chem Lett 25: 4136-42 (2015) | Amgen Inc | 2D 3D TSV |
26298497 | 4 | Recent progress on MAP kinase pathway inhibitors. | Bioorg Med Chem Lett 25: 4047-56 (2015) | Ontario Institute for Cancer Research | 2D 3D TSV |
26298495 | 20 | Expanding the structural diversity of Bcr-Abl inhibitors: Hybrid molecules based on GNF-2 and Imatinib. | Bioorg Med Chem Lett 25: 4164-8 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
26298494 | 18 | Design, synthesis of novel tryptophan derivatives for antiplatelet aggregation activity based on tripeptide pENW (pGlu-Asn-Trp). | Eur J Med Chem 102: 363-74 (2015) | China Pharmaceutical University | 2D 3D TSV |
26298493 | 133 | Conformationally restrained carbamoylcholine homologues. Synthesis, pharmacology at neuronal nicotinic acetylcholine receptors and biostructural considerations. | Eur J Med Chem 102: 352-62 (2015) | IQM-CSIC | 2D 3D TSV |
26296913 | 16 | Substrate-guided optimization of the syringolins yields potent proteasome inhibitors with activity against leukemia cell lines. | Bioorg Med Chem 23: 6218-22 (2015) | Brown University | 2D 3D TSV |
26296911 | 11 | 3-Benzamides and 3,4,5-trimethoxyphenyl amines as calcium channel blockers. | Bioorg Med Chem 23: 6166-72 (2015) | Ewha Womans University | 2D 3D TSV |
26295173 | 25 | Design and synthesis of 4-benzyl-1-(2H)-phthalazinone derivatives as novel androgen receptor antagonists. | Eur J Med Chem 102: 310-9 (2015) | Ochanomizu University | 2D 3D TSV |
26291341 | 66 | Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity. | J Med Chem 58: 7057-75 (2015) | AstraZeneca | 2D 3D TSV |
26290290 | 4 | Discovery of Novel 15-Lipoxygenase Activators To Shift the Human Arachidonic Acid Metabolic Network toward Inflammation Resolution. | J Med Chem 59: 4202-9 (2016) | University of California San Diego | 2D 3D TSV |
26288698 | 38 | Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors. | ACS Med Chem Lett 6: 942-7 (2015) | Merck Research Laboratories | 2D 3D TSV |
26288697 | 41 | Design of Potent and Orally Active GPR119 Agonists for the Treatment of Type II Diabetes. | ACS Med Chem Lett 6: 936-41 (2015) | Merck Research Laboratories | 2D 3D TSV |
26288694 | 10 | Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library. | ACS Med Chem Lett 6: 919-24 (2015) | GlaxoSmithKline | 2D 3D TSV |
26288693 | 13 | Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. | ACS Med Chem Lett 6: 913-8 (2015) | Genentech | 2D 3D TSV |
26288692 | 37 | Discovery of BMS-641988, a Novel Androgen Receptor Antagonist for the Treatment of Prostate Cancer. | ACS Med Chem Lett 6: 908-12 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
26288691 | 54 | Styrylphenylphthalimides as Novel Transrepression-Selective Liver X Receptor (LXR) Modulators. | ACS Med Chem Lett 6: 902-7 (2015) | The University of Tokyo | 2D 3D TSV |
26288690 | 1 | Highly Efficient Synthesis of 1,3-Dihydroxy-2-carboxycarbazole and Its Neuroprotective Effects. | ACS Med Chem Lett 6: 894-7 (2015) | Virginia Commonwealth University | 2D 3D TSV |
26288689 | 37 | Discovery of Potent and Selective Inhibitors for ADAMTS-4 through DNA-Encoded Library Technology (ELT). | ACS Med Chem Lett 6: 888-93 (2015) | GlaxoSmithKline | 2D 3D TSV |
26288686 | 16 | Virtual Screening and Biological Validation of Novel Influenza Virus PA Endonuclease Inhibitors. | ACS Med Chem Lett 6: 866-71 (2015) | Universit£ di Sassari | 2D 3D TSV |
26288685 | 59 | Discovery of Triazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys. | ACS Med Chem Lett 6: 861-5 (2015) | Merck Research Laboratories | 2D 3D TSV |
26288683 | 43 | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. | ACS Med Chem Lett 6: 850-5 (2015) | Bristol-Myers Squibb R & D | 2D 3D TSV |
26288682 | 64 | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. | ACS Med Chem Lett 6: 845-9 (2015) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
26288681 | 2 | Suppression of Hepatocellular Carcinoma by Inhibition of Overexpressed Ornithine Aminotransferase. | ACS Med Chem Lett 6: 840-4 (2015) | Hebrew University-Hadassah Medical Center | 2D 3D TSV |
26288680 | 10 | Fatty Acid Synthase (FASN) Inhibitors as Potential Treatment for Cancer, Obesity, and Liver Related Disorders. | ACS Med Chem Lett 6: 838-9 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26288679 | 12 | Fused Morphlinopyrimidines and Methods of Use Thereof. | ACS Med Chem Lett 6: 836-7 (2015) | Temple University School of Pharmacy | 2D 3D TSV |
26288678 | 12 | Inhibitors of the Renal Outer Medullary Potassium Channel. | ACS Med Chem Lett 6: 831-3 (2015) | Temple University School of Pharmacy | 2D 3D TSV |
26288344 | 15 | Discovery and Optimization of 4-(8-(3-Fluorophenyl)-1,7-naphthyridin-6-yl)transcyclohexanecarboxylic Acid, an Improved PDE4 Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease (COPD). | J Med Chem 58: 6747-52 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26288266 | 4 | Medicinal Chemistry Approaches to Heart Regeneration. | J Med Chem 58: 9451-79 (2015) | TU Dortmund University | 2D 3D TSV |
26288260 | 34 | Multicomponent Synthesis and Biological Evaluation of a Piperazine-Based Dopamine Receptor Ligand Library. | ACS Med Chem Lett 6: 882-7 (2015) | Universit degli Studi di Milano | 2D 3D TSV |
26288216 | 579 | Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3. | J Med Chem 58: 6784-802 (2015) | Amgen Inc | 2D 3D TSV |
26288158 | 13 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. | J Med Chem 58: 7465-74 (2015) | University of Michigan | 2D 3D TSV |
26287401 | 39 | Lanostane Triterpenes from the Tibetan Medicinal Mushroom Ganoderma leucocontextum and Their Inhibitory Effects on HMG-CoA Reductase anda-Glucosidase. | J Nat Prod 78: 1977-89 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
26287310 | 87 | Potent and Selective Inhibitors of Histone Deacetylase-3 Containing Chiral Oxazoline Capping Groups and a N-(2-Aminophenyl)-benzamide Binding Unit. | J Med Chem 58: 6803-18 (2015) | University College London | 2D 3D TSV |
26286844 | 6 | Prokineticin Receptor Modulators May Potentially Treat Psychiatric and Neurological Disorders. | ACS Med Chem Lett 6: 834-5 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26286528 | 5 | Identification of inhibitors that target dual-specificity phosphatase 5 provide new insights into the binding requirements for the two phosphate pockets. | BMC Biochem 16: 19 (2015) | Texas Wesleyan University | 2D 3D TSV |
26286460 | 25 | Discovery of Bivalent Kinase Inhibitors via Enzyme-Templated Fragment Elaboration. | ACS Med Chem Lett 6: 898-901 (2015) | University of Michigan | 2D 3D TSV |
26283510 | 8 | Expanding the chemical space of human serine racemase inhibitors. | Bioorg Med Chem Lett 25: 4297-303 (2015) | University of Parma | 2D 3D TSV |
26280490 | 17 | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | J Med Chem 58: 6928-37 (2015) | National Institute of Chemistry | 2D 3D TSV |
26280302 | 46 | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds. | J Med Chem 58: 6899-908 (2015) | Baylor College of Medicine | 2D 3D TSV |
26278660 | 90 | Evaluation of Homobivalent Carbolines as Designed Multiple Ligands for the Treatment of Neurodegenerative Disorders. | J Med Chem 58: 6710-5 (2015) | University of Jena | 2D 3D TSV |
26278029 | 6 | Synthesis and evaluation of arylpiperazine-reverse amides as biased dopamine D3 receptor ligands. | Bioorg Med Chem 23: 5264-72 (2015) | Chonnam National University | 2D 3D TSV |
26277760 | 5 | Design, chemical synthesis and biological evaluation of 3-spiromorpholinone/3-spirocarbamate androsterone derivatives as inhibitors of 17ß-hydroxysteroid dehydrogenase type 3. | Bioorg Med Chem 23: 5433-51 (2015) | CHU de Qu£bec-Research Center (CHUL) | 2D 3D TSV |
26277759 | 31 | Discovery of thieno[3,2-c]pyridin-4-amines as novel Bruton's tyrosine kinase (BTK) inhibitors. | Bioorg Med Chem 23: 6059-68 (2015) | China Pharmaceutical University | 2D 3D TSV |
26277758 | 48 | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR¿t inverse agonists. | Bioorg Med Chem 23: 5293-302 (2015) | Fudan University | 2D 3D TSV |
26276436 | 45 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. | Eur J Med Chem 102: 223-32 (2015) | Universit£ degli Studi di Messina | 2D 3D TSV |
26276435 | 21 | Pyrimidine sulfonylacetanilides with improved potency against key mutant viruses of HIV-1 by specific targeting of a highly conserved residue. | Eur J Med Chem 102: 215-22 (2015) | Fudan University | 2D 3D TSV |
26275866 | 15 | Synthesis, biological evaluation, and docking studies of novel thiourea derivatives of bisindolylmethane as carbonic anhydrase II inhibitor. | Bioorg Chem 62: 83-93 (2015) | Universiti Teknologi MARA (UiTM) | 2D 3D TSV |
26275681 | 15 | Discovery and structure of a new inhibitor scaffold of the autophagy initiating kinase ULK1. | Bioorg Med Chem 23: 5483-8 (2015) | University of California | 2D 3D TSV |
26275680 | 68 | Synthesis and biological evaluation of (3',5'-dichloro-2,6-dihydroxy-biphenyl-4-yl)-aryl/alkyl-methanone selective CB2 inverse agonist. | Bioorg Med Chem 23: 5390-401 (2015) | University of Tennessee Health Science Center | 2D 3D TSV |
26275679 | 6 | Antimalarial activity of prodrugs of N-branched acyclic nucleoside phosphonate inhibitors of 6-oxopurine phosphoribosyltransferases. | Bioorg Med Chem 23: 5502-10 (2015) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
26275678 | 11 | Computer-aided identification, synthesis, and biological evaluation of novel inhibitors for botulinum neurotoxin serotype A. | Bioorg Med Chem 23: 5489-95 (2015) | Stony Brook University | 2D 3D TSV |
26275107 | 1 | Total Synthesis of Hispidulin and the Structural Basis for Its Inhibition of Proto-oncogene Kinase Pim-1. | J Nat Prod 78: 1969-76 (2015) | Taiwan Academia Sinica | 2D 3D TSV |
26275028 | 50 | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. | J Med Chem 58: 6844-63 (2015) | TU Dortmund University | 2D 3D TSV |
26271588 | 19 | Recent progress in the development of small-molecule glucagon receptor antagonists. | Bioorg Med Chem Lett 25: 4057-64 (2015) | Pfizer Inc | 2D 3D TSV |
26271587 | 17 | Discovery of selective N-[3-(1-methyl-piperidine-4-carbonyl)-phenyl]-benzamide-based 5-HT1 F receptor agonists: Evolution from bicyclic to monocyclic cores. | Bioorg Med Chem Lett 25: 4337-41 (2015) | Eli Lilly and Company | 2D 3D TSV |
26270954 | 7 | Synthesis and Characterization of 5-Hydroxy-2-(2-phenylethyl)chromone (5-HPEC) and Its Analogues as Non-nitrogenous 5-HT2B Ligands. | J Nat Prod 78: 1859-67 (2015) | Virginia Commonwealth University | 2D 3D TSV |
26270568 | 18 | Fragment Binding Can Be Either More Enthalpy-Driven or Entropy-Driven: Crystal Structures and Residual Hydration Patterns Suggest Why. | J Med Chem 58: 6960-71 (2015) | Philipps University Marburg | 2D 3D TSV |
26270416 | 70 | Discovery of Potent and Selective RSK Inhibitors as Biological Probes. | J Med Chem 58: 6766-83 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26267483 | 83 | Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38. | J Med Chem 58: 7021-56 (2015) | GlaxoSmithKline | 2D 3D TSV |
26267383 | 25 | Design and Synthesis of Non-Peptide, Selective Orexin Receptor 2 Agonists. | J Med Chem 58: 7931-7 (2015) | Kitasato University | 2D 3D TSV |
26264846 | 15 | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors. | Bioorg Med Chem 23: 5626-40 (2015) | Kyoto Pharmaceutical University | 2D 3D TSV |
26264844 | 20 | Phosphate-modified analogues of m(7)GTP and m(7)Gppppm(7)G-Synthesis and biochemical properties. | Bioorg Med Chem 23: 5369-81 (2015) | University of Warsaw | 2D 3D TSV |
26264840 | 104 | Exploring new Probenecid-based carbonic anhydrase inhibitors: Synthesis, biological evaluation and docking studies. | Bioorg Med Chem 23: 5311-8 (2015) | University of Chieti-Pescara | 2D 3D TSV |
26264503 | 46 | Discovery of 1-hydroxypyridine-2-thiones as selective histone deacetylase inhibitors and their potential application for treating leukemia. | Bioorg Med Chem Lett 25: 4320-4 (2015) | University of Minnesota | 2D 3D TSV |
26263397 | 22 | Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard. | J Nat Prod 78: 1937-41 (2015) | University of Shizuoka | 2D 3D TSV |
26263024 | 47 | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. | J Med Chem 58: 7224-40 (2015) | Universit£ di Pisa | 2D 3D TSV |
26261308 | 5 | CBP30, a selective CBP/p300 bromodomain inhibitor, suppresses human Th17 responses. | Proc Natl Acad Sci U S A 112: 10768-73 (2015) | University of Oxford | 2D 3D TSV |
26260335 | 14 | Tight binding enantiomers of pre-clinical drug candidates. | Bioorg Med Chem 23: 5326-33 (2015) | Victoria University of Wellington | 2D 3D TSV |
26260334 | 28 | Galantamine derivatives with indole moiety: Docking, design, synthesis and acetylcholinesterase inhibitory activity. | Bioorg Med Chem 23: 5382-9 (2015) | Medical University of Sofia | 2D 3D TSV |
26259807 | 21 | Structure-based de novo design and synthesis of aminothiazole-based p38 MAP kinase inhibitors. | Bioorg Med Chem Lett 25: 3784-7 (2015) | Sejong University | 2D 3D TSV |
26259804 | 23 | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. | Bioorg Med Chem Lett 25: 3788-92 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26258602 | 39 | Discovery of Selective Small Molecule Inhibitors of Monoacylglycerol Acyltransferase 3. | J Med Chem 58: 7164-72 (2015) | Pfizer Inc | 2D 3D TSV |
26258521 | 104 | Development of Selective Covalent Janus Kinase 3 Inhibitors. | J Med Chem 58: 6589-606 (2015) | Harvard Medical School | 2D 3D TSV |
26258437 | 22 | Structure-Activity and Structure-Property Relationship and Exploratory in Vivo Evaluation of the Nanomolar Keap1-Nrf2 Protein-Protein Interaction Inhibitor. | J Med Chem 58: 6410-21 (2015) | China Pharmaceutical University | 2D 3D TSV |
26256053 | 13 | The N-Terminal T-T Motif of a Third-Generation HIV-1 Fusion Inhibitor Is Not Required for Binding Affinity and Antiviral Activity. | J Med Chem 58: 6378-88 (2015) | Chinese Academy of Medical Sciences & Peking Union Medical College | 2D 3D TSV |
26256032 | 26 | Molecular design and synthesis of certain new quinoline derivatives having potential anticancer activity. | Eur J Med Chem 102: 115-31 (2015) | Jazan University | 2D 3D TSV |
26253631 | 8 | Strongylophorines, new protein tyrosine phosphatase 1B inhibitors, from the marine sponge Strongylophora strongilata collected at Iriomote Island. | Bioorg Med Chem Lett 25: 3900-2 (2015) | Tohoku Pharmaceutical University | 2D 3D TSV |
26252963 | 15 | Novel diazabicycloalkane delta opioid agonists. | Bioorg Med Chem 23: 5527-38 (2015) | Istituto di Farmacologia Traslazionale | 2D 3D TSV |
26252962 | 4 | Structural and computational study on inhibitory compounds for endonuclease activity of influenza virus polymerase. | Bioorg Med Chem 23: 5466-75 (2015) | Chiba University | 2D 3D TSV |
26248803 | 1 | Synergistic activation of quorum sensing in Vibrio harveyi. | Bioorg Med Chem Lett 25: 3966-9 (2015) | National Institute for Biotechnology in the Negev | 2D 3D TSV |
26248802 | 46 | Boronic acid-containing aminopyridine- and aminopyrimidinecarboxamide CXCR1/2 antagonists: Optimization of aqueous solubility and oral bioavailability. | Bioorg Med Chem Lett 25: 3793-7 (2015) | Syntrix Biosystems | 2D 3D TSV |
26247308 | 20 | Synthesis and molecular modelling studies of novel sulphonamide derivatives as dengue virus 2 protease inhibitors. | Bioorg Chem 62: 74-82 (2015) | Birla Institute of Technology | 2D 3D TSV |
26244990 | 78 | Potential of aryl-urea-benzofuranylthiazoles hybrids as multitasking agents in Alzheimer's disease. | Eur J Med Chem 102: 80-92 (2015) | Bezmialem Vakif University | 2D 3D TSV |
26243370 | 25 | Design, synthesis and RON receptor tyrosine kinase inhibitory activity of new head groups analogs of LCRF-0004. | Bioorg Med Chem Lett 25: 3810-5 (2015) | Laboratoires ChemRF Inc/ChemRF Laboratories Inc | 2D 3D TSV |
26242241 | 29 | Synthesis, biological evaluation and molecular modeling of new tetrahydroacridine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. | Bioorg Med Chem 23: 5610-8 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
26241877 | 7 | Modulation of disulfide dual ENKephalinase inhibitors (DENKIs) activity by a transient N-protection for pain alleviation by oral route. | Eur J Med Chem 102: 58-67 (2015) | Pharmaleads | 2D 3D TSV |
26241876 | 1 | Triazine as a promising scaffold for its versatile biological behavior. | Eur J Med Chem 102: 39-57 (2015) | Thapar University | 2D 3D TSV |
26241875 | 3 | Synthesis, estrogenic activity, and anti-osteoporosis effects in ovariectomized rats of resveratrol oligomer derivatives. | Eur J Med Chem 102: 26-38 (2015) | Fudan University | 2D 3D TSV |
26241032 | 5 | N-Sulfonyl-aminobiaryls as Antitubulin Agents and Inhibitors of Signal Transducers and Activators of Transcription 3 (STAT3) Signaling. | J Med Chem 58: 6549-58 (2015) | Taipei Medical University | 2D 3D TSV |
26238323 | 12 | Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists. | Bioorg Med Chem Lett 25: 3914-20 (2015) | Daiichi Sankyo RD Novare Co., Ltd | 2D 3D TSV |
26238322 | 26 | Indolylpiperidine derivatives as potent and selectivea1B adrenoceptor antagonists. | Bioorg Med Chem Lett 25: 3921-3 (2015) | Toray Industries Inc | 2D 3D TSV |
26237241 | 4 | 2-Phenoxy-1,4-naphthoquinones: From a Multitarget Antitrypanosomal to a Potential Antitumor Profile. | J Med Chem 58: 6422-34 (2015) | Alma Mater Studiorum-University of Bologna | 2D 3D TSV |
26237118 | 3 | Kinetic and Structural Characterization of the Interaction of 6-Methylidene Penem 2 with the ß-Lactamase from Mycobacterium tuberculosis. | Biochemistry 54: 5657-64 (2015) | Indian Institute of Technology | 2D 3D TSV |
26236460 | 36 | Structure-Based Design, Synthesis by Click Chemistry and | Medchemcomm 6: 555-563 | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
26235950 | 41 | Identification of orally-bioavailable antagonists of the TRPV4 ion-channel. | Bioorg Med Chem Lett 25: 4011-5 (2015) | Renovis Inc | 2D 3D TSV |
26235947 | 26 | Design, synthesis, and in vivo activity of novel inhibitors of delta-5 desaturase for the treatment of metabolic syndrome. | Bioorg Med Chem Lett 25: 3836-9 (2015) | Lexicon Pharmaceuticals, Inc. | 2D 3D TSV |
26235945 | 58 | Synthesis and evaluation of novel 2,4-diaminopyrimidines bearing bicyclic aminobenzazepines for anaplastic lymphoma kinase (ALK) inhibitor. | Bioorg Med Chem Lett 25: 3992-8 (2015) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
26234906 | 2 | Synthesis and biological evaluation of 9-N-oxamyl sialosides as Siglec-7 ligands. | Bioorg Med Chem 23: 5915-21 (2015) | G3-BioTec | 2D 3D TSV |
26234904 | 57 | Optimization of 3-aryl-3-ethoxypropanoic acids and discovery of the potent GPR40 agonist DS-1558. | Bioorg Med Chem 23: 5546-65 (2015) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
26233801 | 1 | Synthesis and structure-activity relationship of uracil nucleotide derivatives towards the identification of human P2Y6 receptor antagonists. | Bioorg Med Chem 23: 5764-73 (2015) | Bar-Ilan University | 2D 3D TSV |
26233800 | 8 | Synthesis, nicotinic acetylcholine receptor binding, in vitro and in vivo pharmacology properties of 3'-(substituted pyridinyl)-deschloroepibatidine analogs. | Bioorg Med Chem 23: 5693-701 (2015) | Research Triangle Institute | 2D 3D TSV |
26233799 | 15 | Ethylenedioxy homologs of N-methyl-(3,4-methylenedioxyphenyl)-2-aminopropane (MDMA) and its corresponding cathinone analog methylenedioxymethcathinone: Interactions with transporters for serotonin, dopamine, and norepinephrine. | Bioorg Med Chem 23: 5574-9 (2015) | Virginia Commonwealth University | 2D 3D TSV |
26233798 | 11 | Optimization of permethyl ningalin B analogs as P-glycoprotein inhibitors. | Bioorg Med Chem 23: 5566-73 (2015) | Ocean University of China | 2D 3D TSV |
26233796 | 68 | Synthesis and carbonic anhydrase I, II, IX and XII inhibitory activity of sulfamates incorporating piperazinyl-ureido moieties. | Bioorg Med Chem 23: 5619-25 (2015) | University of Cagliari | 2D 3D TSV |
26233795 | 21 | Dual inhibitors of the dengue and West Nile virus NS2B-NS3 proteases: Synthesis, biological evaluation and docking studies of novel peptide-hybrids. | Bioorg Med Chem 23: 5748-55 (2015) | Heidelberg University | 2D 3D TSV |
26233435 | 76 | Synthesis of sulfonamides incorporating piperazinyl-ureido moieties and their carbonic anhydrase I, II, IX and XII inhibitory activity. | Bioorg Med Chem Lett 25: 3850-3 (2015) | University of Cagliari | 2D 3D TSV |
26233434 | 115 | Design, synthesis and biological characterization of selective LIMK inhibitors. | Bioorg Med Chem Lett 25: 4005-10 (2015) | Amakem Therapeutics N.V. | 2D 3D TSV |
26231163 | 50 | Discovery of novel bridged tetrahydronaphthalene derivatives as potent T/L-type calcium channel blockers. | Bioorg Med Chem Lett 25: 3941-6 (2015) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
26231162 | 2 | Structure-activity relationship study of syringolin A as a potential anticancer agent. | Bioorg Med Chem Lett 25: 4872-7 (2015) | Hokkaido University | 2D 3D TSV |
26231159 | 1 | Discovery of Tyk2 inhibitors via the virtual site-directed fragment-based drug design. | Bioorg Med Chem Lett 25: 3947-52 (2015) | Chungnam National University | 2D 3D TSV |
26231158 | 29 | Selective inhibition of PARP10 using a chemical genetics strategy. | Bioorg Med Chem Lett 25: 4770-3 (2015) | Oregon Health & Science University | 2D 3D TSV |
26231156 | 12 | Incorporation of metabolically stable ketones into a small molecule probe to increase potency and water solubility. | Bioorg Med Chem Lett 25: 4787-92 (2015) | Columbia University | 2D 3D TSV |
26231155 | 53 | Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro microsomal stability. | Bioorg Med Chem Lett 25: 3956-60 (2015) | Massachusetts General Hospital | 2D 3D TSV |
26231082 | 4 | Synthesis and structure-activity relationship study of a new series of antiparasitic aryloxyl thiosemicarbazones inhibiting Trypanosoma cruzi cruzain. | Eur J Med Chem 101: 818-35 (2015) | Universidade Federal de Pernambuco | 2D 3D TSV |
26231079 | 26 | Synthesis and biological evaluation of novel aromatic-heterocyclic biphenyls as potent anti-leukemia agents. | Eur J Med Chem 101: 780-9 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
26230970 | 11 | Polyketides witha-Glucosidase Inhibitory Activity from a Mangrove Endophytic Fungus, Penicillium sp. HN29-3B1. | J Nat Prod 78: 1816-22 (2015) | Hebei University | 2D 3D TSV |
26230724 | 10 | New Frontiers in Druggability. | J Med Chem 58: 9063-88 (2015) | Stony Brook University | 2D 3D TSV |
26230603 | 176 | Structure-Based Optimization of Naphthyridones into Potent ATAD2 Bromodomain Inhibitors. | J Med Chem 58: 6151-78 (2015) | GlaxoSmithKline | 2D 3D TSV |
26227780 | 8 | Phenolic 4-hydroxy and 3,5-dihydroxy derivatives of 3-phenoxyquinoxalin-2(1H)-one as potent aldose reductase inhibitors with antioxidant activity. | Bioorg Med Chem Lett 25: 3924-7 (2015) | Beijing Institute of Technology | 2D 3D TSV |
26227779 | 37 | Discovery of novel potent and selective ligands for 5-HT2A receptor with quinazoline scaffold. | Bioorg Med Chem Lett 25: 3970-4 (2015) | Fudan University | 2D 3D TSV |
26227773 | 18 | Benzylated and prenylated flavonoids from the root barks of Cudrania tricuspidata with pancreatic lipase inhibitory activity. | Bioorg Med Chem Lett 25: 3455-7 (2015) | Chungbuk National University | 2D 3D TSV |
26227772 | 22 | C4 phenyl aporphines with selective h5-HT(2B) receptor affinity. | Bioorg Med Chem Lett 25: 3451-4 (2015) | City University of New York | 2D 3D TSV |
26226490 | 23 | Novel Oxazolidinone-Based Peroxisome Proliferator Activated Receptor Agonists: Molecular Modeling, Synthesis, and Biological Evaluation. | J Med Chem 58: 6639-52 (2015) | IQM-CSIC | 2D 3D TSV |
26226049 | 87 | Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2. | J Med Chem 58: 5930-41 (2015) | University of Texas Southwestern Medical Center | 2D 3D TSV |
26225816 | 25 | Chemistry and Pharmacology of a Series of Unichiral Analogues of 2-(2-Pyrrolidinyl)-1,4-benzodioxane, Prolinol Phenyl Ether, and Prolinol 3-Pyridyl Ether Designed asa4ß2-Nicotinic Acetylcholine Receptor Agonists. | J Med Chem 58: 6665-77 (2015) | Universit£ degli Studi di Milano | 2D 3D TSV |
26225459 | 48 | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). | J Med Chem 58: 6653-64 (2015) | Heptares Therapeutics Ltd. | 2D 3D TSV |
26222905 | 6 | Inhibitory Effects of Highly Oxygenated Lanostane Derivatives from the Fungus Ganoderma lucidum on P-Glycoprotein anda-Glucosidase. | J Nat Prod 78: 1868-76 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
26222445 | 5 | Carbamoyl Triazoles, Known Serine Protease Inhibitors, Are a Potent New Class of Antimalarials. | J Med Chem 58: 6448-55 (2015) | GlaxoSmithKline | 2D 3D TSV |
26222319 | 192 | Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy. | J Med Chem 58: 6875-98 (2015) | Nerviano Medical Sciences srl | 2D 3D TSV |
26222195 | 56 | A Ligand-Based Drug Design. Discovery of 4-Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2. | J Med Chem 58: 6481-93 (2015) | Xavier University of Louisiana | 2D 3D TSV |
26220519 | 5 | Design and synthesis of new non nucleoside inhibitors of DNMT3A. | Bioorg Med Chem 23: 5946-53 (2015) | Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388 | 2D 3D TSV |
26220157 | 62 | Human SIRT3 tripeptidic inhibitors containing N(?)-thioacetyl-lysine. | Bioorg Med Chem Lett 25: 3481-7 (2015) | Jiangsu University | 2D 3D TSV |
26218717 | 25 | Inhibitor Fingerprinting of Rhomboid Proteases by Activity-Based Protein Profiling Reveals Inhibitor Selectivity and Rhomboid Autoprocessing. | ACS Chem Biol 10: 2325-33 (2015) | Technische Universität München | 2D 3D TSV |
26218651 | 16 | Synthesis and in vitro characterization of novel fluorinated derivatives of the TSPO 18 kDa ligand SSR180575. | Eur J Med Chem 101: 736-45 (2015) | Institute of Biomedical Imaging (I2BM) | 2D 3D TSV |
26218650 | 41 | Discovery and optimization of adamantane carboxylic acid derivatives as potent diacylglycerol acyltransferase 1 inhibitors for the potential treatment of obesity and diabetes. | Eur J Med Chem 101: 716-35 (2015) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
26218629 | 26 | Small Molecule Inhibitors of 8-Oxoguanine DNA Glycosylase-1 (OGG1). | ACS Chem Biol 10: 2334-43 (2015) | Oregon Health & Science University | 2D 3D TSV |
26218460 | 264 | Systematic Backbone Conformational Constraints on a Cyclic Melanotropin Ligand Leads to Highly Selective Ligands for Multiple Melanocortin Receptors. | J Med Chem 58: 6359-67 (2015) | University of Arizona | 2D 3D TSV |
26218343 | 76 | Indole Glucocorticoid Receptor Antagonists Active in a Model of Dyslipidemia Act via a Unique Association with an Agonist Binding Site. | J Med Chem 58: 6607-18 (2015) | Eli Lilly and Company | 2D 3D TSV |
26218264 | 24 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. | J Med Chem 58: 6574-88 (2015) | Astex Pharmaceuticals | 2D 3D TSV |
26216018 | 2 | Imine/amide-imidazole conjugates derived from 5-amino-4-cyano-N1-substituted benzyl imidazole: Microwave-assisted synthesis and anticancer activity via selective topoisomerase-II-a inhibition. | Bioorg Med Chem 23: 5654-61 (2015) | Central University of Punjab | 2D 3D TSV |
26216016 | 30 | Design, synthesis and biological evaluation of saccharin-based N-hydroxybenzamides as histone deacetylases (HDACs) inhibitors. | Bioorg Med Chem 23: 5774-81 (2015) | Shandong University | 2D 3D TSV |
26216015 | 72 | Synthesis of CNS active thyrotropin-releasing hormone (TRH)-like peptides: Biological evaluation and effect on cognitive impairment induced by cerebral ischemia in mice. | Bioorg Med Chem 23: 5641-53 (2015) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
26214585 | 23 | Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents. | ACS Chem Biol 10: 2209-18 (2015) | University of Wisconsin-Madison | 2D 3D TSV |
26214366 | 18 | Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma. | J Med Chem 58: 6507-15 (2015) | Ume£ University | 2D 3D TSV |
26214255 | 11 | The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif. | Nat Chem Biol 11: 691-6 (2015) | University of British Columbia | 2D 3D TSV |
26212777 | 22 | Discovery of new acetylcholinesterase inhibitors with small core structures through shape-based virtual screening. | Bioorg Med Chem Lett 25: 3442-6 (2015) | Nanjing University of Chinese Medicine | 2D 3D TSV |
26212776 | 69 | Discovery of novel triazolobenzazepinones as ?-secretase modulators with central A?42 lowering in rodents and rhesus monkeys. | Bioorg Med Chem Lett 25: 3488-94 (2015) | Merck Research Laboratories Boston | 2D 3D TSV |
26212775 | 77 | Discovery of tripeptide-derived multifunctional ligands possessing delta/mu opioid receptor agonist and neurokinin 1 receptor antagonist activities. | Bioorg Med Chem Lett 25: 3716-20 (2015) | University of Arizona | 2D 3D TSV |
26211462 | 71 | Design, synthesis and biological evaluation of isoquinoline-based derivatives as novel histone deacetylase inhibitors. | Bioorg Med Chem 23: 5881-90 (2015) | The Walter and Eliza Hall Institute of Medical Research | 2D 3D TSV |
26211459 | 16 | A-ring substituted 17ß-arylsulfonamides of 17ß-aminoestra-1,3,5(10)-trien-3-ol as highly potent reversible inhibitors of steroid sulfatase. | Bioorg Med Chem 23: 5681-92 (2015) | University of Waterloo | 2D 3D TSV |
26210506 | 26 | Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists. | Eur J Med Chem 101: 681-91 (2015) | Leiden University | 2D 3D TSV |
26210161 | 15 | Modification of N-(6-(2-methoxy-3-(4-fluorophenylsulfonamido)pyridin-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide as PI3Ks inhibitor by replacement of the acetamide group with alkylurea. | Bioorg Med Chem 23: 5662-71 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
26210160 | 19 | Identification of 2-[2-(4-tert-butylphenyl)ethyl]-N-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide (29) as an orally available MGAT2 inhibitor. | Bioorg Med Chem 23: 5922-31 (2015) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
26209834 | 46 | Synthesis, pharmacological evaluation and docking studies of pyrrole structure-based CB2 receptor antagonists. | Eur J Med Chem 101: 651-67 (2015) | Universit£ degli Studi di Sassari | 2D 3D TSV |
26207924 | 32 | Challenges and Opportunities in the Discovery of New Therapeutics Targeting the Kynurenine Pathway. | J Med Chem 58: 8762-82 (2015) | Colorado College | 2D 3D TSV |
26206504 | 131 | Identification and optimisation of a 4',5-bisthiazole series of selective phosphatidylinositol-3 kinase alpha inhibitors. | Bioorg Med Chem Lett 25: 3569-74 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26206427 | 7 | Novel 9-Alkyl- and 9-Alkylidene-Substituted 1a,25-Dihydroxyvitamin D3 Analogues: Synthesis and Biological Examinations. | J Med Chem 58: 6237-47 (2015) | University of Warsaw | 2D 3D TSV |
26204890 | 18 | Synthesis, kinetic mechanism and docking studies of vanillin derivatives as inhibitors of mushroom tyrosinase. | Bioorg Med Chem 23: 5870-80 (2015) | Kongju National University | 2D 3D TSV |
26204510 | 6 | 4-Fluoro-3',4',5'-trimethoxychalcone as a new anti-invasive agent. From discovery to initial validation in an in vivo metastasis model. | Eur J Med Chem 101: 627-39 (2015) | Ghent University | 2D 3D TSV |
26204509 | 34 | Small lipidated anti-obesity compounds derived from neuromedin U. | Eur J Med Chem 101: 616-26 (2015) | University of California at Los Angeles | 2D 3D TSV |
26203869 | 18 | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. | J Med Chem 58: 6630-8 (2015) | University of Florida | 2D 3D TSV |
26203768 | 104 | High Affinity Dopamine D3 Receptor (D3R)-Selective Antagonists Attenuate Heroin Self-Administration in Wild-Type but not D3R Knockout Mice. | J Med Chem 58: 6195-213 (2015) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
26203658 | 39 | Distinct Temporal Fingerprint for Cyclic Adenosine Monophosphate (cAMP) Signaling of Indole-2-carboxamides as Allosteric Modulators of the Cannabinoid Receptors. | J Med Chem 58: 5979-88 (2015) | University of Auckland | 2D 3D TSV |
26200936 | 39 | Applications of Fluorine in Medicinal Chemistry. | J Med Chem 58: 8315-59 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
26200813 | 90 | Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. | J Med Chem 58: 6093-113 (2015) | Setsunan University | 2D 3D TSV |
26200446 | 11 | Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase. | Biochemistry 54: 4692-703 (2015) | University of Pennsylvania | 2D 3D TSV |
26199121 | 11 | Novel inhibitor against Malassezia globosa LIP1 (SMG1), a potential anti-dandruff target. | Bioorg Med Chem Lett 25: 3464-7 (2015) | South China University of Technology | 2D 3D TSV |
26199120 | 66 | Discovery of substituted (4-phenyl-1H-imidazol-2-yl)methanamine as potent somatostatin receptor 3 agonists. | Bioorg Med Chem Lett 25: 3520-5 (2015) | Merck Research Laboratories | 2D 3D TSV |
26199119 | 135 | Identification and optimisation of 4,5-dihydrobenzo[1,2-d:3,4-d]bisthiazole and 4,5-dihydrothiazolo[4,5-h]quinazoline series of selective phosphatidylinositol-3 kinase alpha inhibitors. | Bioorg Med Chem Lett 25: 3575-81 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26197161 | 40 | Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors. | Eur J Med Chem 101: 573-83 (2015) | University of Ferrara | 2D 3D TSV |
26197159 | 1 | Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2. | Eur J Med Chem 101: 552-9 (2015) | University of Graz | 2D 3D TSV |
26196061 | 47 | A Selective, Cell-Permeable Nonphosphorylated Bicyclic Peptidyl Inhibitor against Peptidyl-Prolyl Isomerase Pin1. | J Med Chem 58: 6306-12 (2015) | The Ohio State University | 2D 3D TSV |
26195136 | 32 | Hybrid pyrimidine alkynyls inhibit the clinically resistance related Bcr-Abl(T315I) mutant. | Bioorg Med Chem Lett 25: 3458-63 (2015) | Guangzhou Institutes of Biomedicine and Health | 2D 3D TSV |
26192023 | 71 | SAR Studies of Exosite-Binding Substrate-Selective Inhibitors of A Disintegrin And Metalloprotease 17 (ADAM17) and Application as Selective in Vitro Probes. | J Med Chem 58: 5808-24 (2015) | Florida Atlantic University | 2D 3D TSV |
26191399 | 13 | Discovery, synthesis and structure-activity analysis of symmetrical 2,7-disubstituted fluorenones as urea transporter inhibitors. | Medchemcomm 6: 1278-1284 (2015) | University of California | 2D 3D TSV |
26191374 | 4 | Discovery and Characterization of a Water-Soluble Prodrug of a Dual Inhibitor of Bacterial DNA Gyrase and Topoisomerase IV. | ACS Med Chem Lett 6: 822-6 (2015) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
26191373 | 52 | Carbonic Anhydrase Glycoinhibitors belonging to the Aminoxysulfonamide Series. | ACS Med Chem Lett 6: 819-21 (2015) | Institute of Biomolecules Max Mousseron (IBMM) | 2D 3D TSV |
26191370 | 34 | Rigidified A3 Adenosine Receptor Agonists: 1-Deazaadenine Modification Maintains High in Vivo Efficacy. | ACS Med Chem Lett 6: 804-8 (2015) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
26191369 | 20 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. | ACS Med Chem Lett 6: 798-803 (2015) | Astex Pharmaceuticals | 2D 3D TSV |
26191367 | 39 | Discovery of Biaryl Amides as Potent, Orally Bioavailable, and CNS Penetrant ROR¿t Inhibitors. | ACS Med Chem Lett 6: 787-92 (2015) | Fudan University | 2D 3D TSV |
26191366 | 66 | Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors. | ACS Med Chem Lett 6: 782-6 (2015) | Indiana University School of Medicine | 2D 3D TSV |
26191365 | 49 | Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. | ACS Med Chem Lett 6: 776-81 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26191364 | 10 | Dimeric Macrocyclic Antagonists of Inhibitor of Apoptosis Proteins for the Treatment of Cancer. | ACS Med Chem Lett 6: 770-5 (2015) | Bristol-Myers Squibb Research | 2D 3D TSV |
26191363 | 29 | BRD4 Structure-Activity Relationships of Dual PLK1 Kinase/BRD4 Bromodomain Inhibitor BI-2536. | ACS Med Chem Lett 6: 764-9 (2015) | University of Maryland | 2D 3D TSV |
26191361 | 6 | Pyrazolo-Piperidines Exhibit Dual Inhibition of CCR5/CXCR4 HIV Entry and Reverse Transcriptase. | ACS Med Chem Lett 6: 753-7 (2015) | Emory University | 2D 3D TSV |
26191360 | 99 | Discovery of a Potent and Selective ROMK Inhibitor with Pharmacokinetic Properties Suitable for Preclinical Evaluation. | ACS Med Chem Lett 6: 747-52 (2015) | Merck Research Laboratories | 2D 3D TSV |
26191359 | 19 | Left-Hand Side Exploration of Novel Bacterial Topoisomerase Inhibitors to Improve Selectivity against hERG Binding. | ACS Med Chem Lett 6: 741-6 (2015) | AstraZeneca | 2D 3D TSV |
26191358 | 105 | Optimization of Novel Antagonists to the Neurokinin-3 Receptor for the Treatment of Sex-Hormone Disorders (Part II). | ACS Med Chem Lett 6: 736-40 (2015) | Euroscreen SA | 2D 3D TSV |
26191356 | 6 | Inhibitors of the Epidermal Growth Factor Receptor (EGFR) May Provide Effective Treatment for Lung Adenocarcinoma. | ACS Med Chem Lett 6: 732-3 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26191355 | 6 | Novel Pyrazine Amide Compounds. | ACS Med Chem Lett 6: 729-31 (2015) | Temple University School of Pharmacy | 2D 3D TSV |
26191354 | 20 | Pyrrolopyridine or Pyrazolopyridine Derivatives. | ACS Med Chem Lett 6: 726-8 (2015) | Temple University School of Pharmacy | 2D 3D TSV |
26190462 | 3 | Vinyl sulfone analogs of lysophosphatidylcholine irreversibly inhibit autotaxin and prevent angiogenesis in melanoma. | Bioorg Med Chem 23: 5999-6013 (2015) | The University of Georgia | 2D 3D TSV |
26190460 | 2 | Chemical synthesis of tetracyclic terpenes and evaluation of antagonistic activity on endothelin-A receptors and voltage-gated calcium channels. | Bioorg Med Chem 23: 5985-98 (2015) | Kansas State University | 2D 3D TSV |
26189078 | 60 | Discovery, design, and synthesis of indole-based EZH2 inhibitors. | Bioorg Med Chem Lett 25: 3644-9 (2015) | Constellation Pharmaceuticals, Inc. | 2D 3D TSV |
26189031 | 52 | Synthesis of novel triazoles and a tetrazole of escitalopram as cholinesterase inhibitors. | Bioorg Med Chem 23: 6014-24 (2015) | University of the Punjab | 2D 3D TSV |
26189013 | 14 | Development of fluorinated methoxylated chalcones as selective monoamine oxidase-B inhibitors: Synthesis, biochemistry and molecular docking studies. | Bioorg Chem 62: 22-29 (2015) | Grace College of Pharmacy | 2D 3D TSV |
26188907 | 4 | Coumarins as anticancer agents: a review on synthetic strategies, mechanism of action and SAR studies. | Eur J Med Chem 101: 476-95 (2015) | Central University of Punjab | 2D 3D TSV |
26188621 | 2 | Chalcone scaffolds as anti-infective agents: structural and molecular target perspectives. | Eur J Med Chem 101: 496-524 (2015) | Guru Ghasidas Vishwavidyalaya (A Central University) | 2D 3D TSV |
26188620 | 41 | Design, synthesis and biological activities of novel oxazolo[4,5-g]quinazolin-2(1H)-one derivatives as EGFR inhibitors. | Eur J Med Chem 101: 462-75 (2015) | China Pharmaceutical University | 2D 3D TSV |
26187704 | 63 | Discovery of 11ß-hydroxysteroid dehydrogenase type 1 inhibitor. | Bioorg Med Chem Lett 25: 3501-6 (2015) | Incheon National University | 2D 3D TSV |
26185005 | 2 | Multistage virtual screening and identification of novel HIV-1 protease inhibitors by integrating SVM, shape, pharmacophore and docking methods. | Eur J Med Chem 101: 409-18 (2015) | Nankai University | 2D 3D TSV |
26183545 | 47 | 4,6-Substituted-1,3,5-triazin-2(1H)-ones as monocyclic catalytic inhibitors of human DNA topoisomerase IIa targeting the ATP binding site. | Bioorg Med Chem 23: 4218-29 (2015) | National Institute of Chemistry | 2D 3D TSV |
26183544 | 16 | Structural development of stabilized helical peptides as inhibitors of estrogen receptor (ER)-mediated transcription. | Bioorg Med Chem 23: 4132-8 (2015) | National Institute of Health Sciences | 2D 3D TSV |
26183543 | 87 | Discovery of potent and selective nonplanar tankyrase inhibiting nicotinamide mimics. | Bioorg Med Chem 23: 4139-49 (2015) | University of Oulu | 2D 3D TSV |
26183084 | 53 | Further optimization of the mGlu5 PAM clinical candidate VU0409551/JNJ-46778212: Progress and challenges towards a back-up compound. | Bioorg Med Chem Lett 25: 3515-9 (2015) | Vanderbilt University Medical Center | 2D 3D TSV |
26182238 | 1 | Design, Synthesis, and Biological Evaluation of a Series of Anthracene-9,10-dione Dioximeß-Catenin Pathway Inhibitors. | J Med Chem 58: 5854-62 (2015) | University of Utah | 2D 3D TSV |
26181851 | 26 | Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. | J Med Chem 58: 6348-58 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26181715 | 73 | Bicyclic [3.3.0]-Octahydrocyclopenta[c]pyrrolo Antagonists of Retinol Binding Protein 4: Potential Treatment of Atrophic Age-Related Macular Degeneration and Stargardt Disease. | J Med Chem 58: 5863-88 (2015) | Columbia University Medical Center | 2D 3D TSV |
26177193 | 30 | Deepening the Topology of the Translocator Protein Binding Site by Novel N,N-Dialkyl-2-arylindol-3-ylglyoxylamides. | J Med Chem 58: 6081-92 (2015) | Universit£ di Pisa | 2D 3D TSV |
26177091 | 138 | Design, Synthesis, and Characterization of 3-(Benzylidene)indolin-2-one Derivatives as Ligands fora-Synuclein Fibrils. | J Med Chem 58: 6002-17 (2015) | Washington University | 2D 3D TSV |
26174556 | 41 | Sulfonamide inhibition studies of the¿-carbonic anhydrase from the Antarctic bacterium Pseudoalteromonas haloplanktis. | Bioorg Med Chem Lett 25: 3550-5 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26174207 | 21 | Hydroxybenzaldoximes Are D-GAP-Competitive Inhibitors of E. coli 1-Deoxy-D-Xylulose-5-Phosphate Synthase. | Chembiochem 16: 1771-81 (2015) | The Johns Hopkins University School of Medicine | 2D 3D TSV |
26172575 | 6 | Analysis of the Resistance Mechanism of a Benzoxaborole Inhibitor Reveals Insight into the Leucyl-tRNA Synthetase Editing Mechanism. | ACS Chem Biol 10: 2277-85 (2015) | Grenoble Outstation and Unit of Virus Host-Cell Interactions, UJF-EMBL-CNRS, UMI 3265 | 2D 3D TSV |
26171651 | 19 | A New Class of Potent N-Methyl-D-Aspartate Receptor Inhibitors: Sulfated Neuroactive Steroids with Lipophilic D-Ring Modifications. | J Med Chem 58: 5950-66 (2015) | Academy of Sciences of the Czech Republic v.v.i. | 2D 3D TSV |
26169764 | 48 | Pyrrolo[2,3-b]pyridine derivatives as potent Bruton's tyrosine kinase inhibitors. | Bioorg Med Chem 23: 4344-53 (2015) | China Pharmaceutical University | 2D 3D TSV |
26169763 | 39 | Design and biological evaluation of novel 4-(2-fluorophenoxy)quinoline derivatives bearing an imidazolone moiety as c-Met kinase inhibitors. | Bioorg Med Chem 23: 4410-22 (2015) | Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) | 2D 3D TSV |
26164842 | 30 | Bifunctional compounds targeting both D2 and non-a7 nACh receptors: design, synthesis and pharmacological characterization. | Eur J Med Chem 101: 367-83 (2015) | Universit£ degli Studi di Milano | 2D 3D TSV |
26164189 | 21 | Discovery of a novel tricyclic 4H-thiazolo[5',4':4,5]pyrano[2,3-c]pyridine-2-amino scaffold and its application in a PI3Ka inhibitor with high PI3K isoform selectivity and potent cellular activity. | Bioorg Med Chem Lett 25: 3582-4 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26164188 | 2 | Regulating the master regulator: Controlling heat shock factor 1 as a chemotherapy approach. | Bioorg Med Chem Lett 25: 3409-14 (2015) | University of New South Wales | 2D 3D TSV |
26163883 | 16 | Synthesis of bicoumarin thiophosphate derivatives as steroid sulfatase inhibitors. | Eur J Med Chem 101: 358-66 (2015) | Gdansk University of Technology | 2D 3D TSV |
26162519 | 22 | Synthesis, in vitro evaluation and molecular docking studies of thiazole derivatives as new inhibitors of a-glucosidase. | Bioorg Chem 62: 15-21 (2015) | Hazara University | 2D 3D TSV |
26162498 | 1 | 4-(N-Phenyl-N'-substituted benzenesulfonyl)-6-(4-hydroxyphenyl)quinolines as inhibitors of mammalian target of rapamycin. | Bioorg Med Chem 23: 4237-47 (2015) | India Academy of Scientific & Innovative Research (AcSIR) | 2D 3D TSV |
26162497 | 5 | Hybrid chemistry. Part 4: Discovery of etravirine-VRX-480773 hybrids as potent HIV-1 non-nucleoside reverse transcriptase inhibitors. | Bioorg Med Chem 23: 4248-4255 (2015) | Fudan University | 2D 3D TSV |
26161252 | 43 | 4-Alkyloxyimino-cytosine nucleotides: tethering approaches to molecular probes for the P2Y | Medchemcomm 4: 1156-1165 (2013) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
26160114 | 101 | Probing the 'bipolar' nature of the carbonic anhydrase active site: aromatic sulfonamides containing 1,3-oxazol-5-yl moiety as picomolar inhibitors of cytosolic CA I and CA II isoforms. | Eur J Med Chem 101: 334-47 (2015) | Saint Petersburg State University | 2D 3D TSV |
26160020 | 5 | Antimitotic and antivascular activity of heteroaroyl-2-hydroxy-3,4,5-trimethoxybenzenes. | Bioorg Med Chem 23: 4230-6 (2015) | Taipei Medical University | 2D 3D TSV |
26159481 | 15 | A computational view on the significance of E-ring in binding of (+)-arisugacin A to acetylcholinesterase. | Bioorg Med Chem Lett 25: 4848-53 (2015) | Alchemical Research, LLC | 2D 3D TSV |
26158339 | 24 | Type II Inhibitors Targeting CDK2. | ACS Chem Biol 10: 2116-25 (2015) | University of Oxford | 2D 3D TSV |
26155854 | 125 | Fragment-Based Discovery of Low-Micromolar ATAD2 Bromodomain Inhibitors. | J Med Chem 58: 5649-73 (2015) | GlaxoSmithKline | 2D 3D TSV |
26153715 | 4 | Novel Azido-Iodo Photoaffinity Ligands for the Human Serotonin Transporter Based on the Selective Serotonin Reuptake Inhibitor (S)-Citalopram. | J Med Chem 58: 5609-19 (2015) | National Institute on Drug Abuse | 2D 3D TSV |
26152426 | 61 | Structure activity relationship of C-2 ether substituted 1,5-naphthyridine analogs of oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents (Part-5). | Bioorg Med Chem Lett 25: 3630-5 (2015) | Merck Research Laboratories | 2D 3D TSV |
26151319 | 52 | Structure-Activity Relationship Studies of Substituted 2-(Isoxazol-3-yl)-2-oxo-N'-phenyl-acetohydrazonoyl Cyanide Analogues: Identification of Potent Exchange Proteins Directly Activated by cAMP (EPAC) Antagonists. | J Med Chem 58: 6033-47 (2015) | University of Texas Medical Branch | 2D 3D TSV |
26151231 | 154 | Development of Quinoline-2,4(1H,3H)-diones as Potent and Selective Ligands of the Cannabinoid Type 2 Receptor. | J Med Chem 58: 5751-69 (2015) | Zhejiang University | 2D 3D TSV |
26151189 | 56 | Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors. | J Med Chem 58: 6225-36 (2015) | TBA | 2D 3D TSV |
26150289 | 9 | Discovery of N-aryl-naphthylamines as in vitro inhibitors of the interaction between HIV integrase and the cofactor LEDGF/p75. | Eur J Med Chem 101: 288-94 (2015) | "Sapienza" Universit£ di Roma | 2D 3D TSV |
26149757 | 2 | Tyrosyl-DNA Phosphodiesterase I Inhibitors from the Australian Plant Macropteranthes leichhardtii. | J Nat Prod 78: 1756-60 (2015) | Griffith University | 2D 3D TSV |
26149623 | 7 | Combining Mass Spectrometric Metabolic Profiling with Genomic Analysis: A Powerful Approach for Discovering Natural Products from Cyanobacteria. | J Nat Prod 78: 1671-82 (2015) | University of California Berkeley | 2D 3D TSV |
26149591 | 28 | Design, synthesis and preliminary bioactivity evaluations of substituted quinoline hydroxamic acid derivatives as novel histone deacetylase (HDAC) inhibitors. | Bioorg Med Chem 23: 4364-4374 (2015) | Shandong University | 2D 3D TSV |
26145821 | 3 | Inhibition studies of bacterial, fungal and protozoanß-class carbonic anhydrases with Schiff bases incorporating sulfonamide moieties. | Bioorg Med Chem 23: 4181-7 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
26145820 | 47 | Cloning, characterization and anion inhibition studies of a new¿-carbonic anhydrase from the Antarctic bacterium Pseudoalteromonas haloplanktis. | Bioorg Med Chem 23: 4405-9 (2015) | Istituto di Bioscienze e Biorisorse | 2D 3D TSV |
26145819 | 1 | Stereoselective synthesis and pharmacological evaluation of [4.3.3]propellan-8-amines as analogs of adamantanamines. | Bioorg Med Chem 23: 4277-85 (2015) | Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster | 2D 3D TSV |
26145818 | 2 | Synthesis and biological evaluation of isoflavone amide derivatives with antihyperlipidemic and preadipocyte antiproliferative activities. | Bioorg Med Chem 23: 4428-33 (2015) | China Pharmaceutical University | 2D 3D TSV |
26144347 | 27 | Tetrafluorophenoxymethyl ketone cruzain inhibitors with improved pharmacokinetic properties as therapeutic leads for Chagas' disease. | Bioorg Med Chem Lett 25: 4834-7 (2015) | University of California | 2D 3D TSV |
26144345 | 16 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. | Bioorg Med Chem Lett 25: 3626-9 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
26142947 | 77 | Potent benzoazepinone¿-secretase modulators with improved bioavailability. | Bioorg Med Chem Lett 25: 3495-500 (2015) | Merck Research Laboratories | 2D 3D TSV |
26142492 | 27 | Advances in tetrahydropyrido[1,2-a]isoindolone (valmerins) series: Potent glycogen synthase kinase 3 and cyclin dependent kinase 5 inhibitors. | Eur J Med Chem 101: 274-87 (2015) | CNRS UMR 7311 | 2D 3D TSV |
26142318 | 36 | The twin drug approach for novel nicotinic acetylcholine receptor ligands. | Bioorg Med Chem 23: 4375-89 (2015) | University of Hawaii at Hilo | 2D 3D TSV |
26141910 | 1 | Synthesis and biological evaluation of a new series of 2-amino-3-aroyl thiophene derivatives as agonist allosteric modulators of the A1 adenosine receptor. A position-dependent effect study. | Eur J Med Chem 101: 185-204 (2015) | Universit£ di Ferrara | 2D 3D TSV |
26141771 | 27 | Structure activity relationship of pyridoxazinone substituted RHS analogs of oxabicyclooctane-linked 1,5-naphthyridinyl novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents (Part-6). | Bioorg Med Chem Lett 25: 3636-43 (2015) | Merck Research Laboratories | 2D 3D TSV |
26140961 | 11 | Design, synthesis and antiproliferative activities of novel benzamides derivatives as HDAC inhibitors. | Eur J Med Chem 100: 270-6 (2015) | Academy of Military Medical Sciences | 2D 3D TSV |
26138195 | 22 | Synthesis and biological characterization of a promising F-18 PET tracer for vesicular acetylcholine transporter. | Bioorg Med Chem 23: 4699-709 (2015) | Washington University | 2D 3D TSV |
26135471 | 2 | Synthesis and in Vitro Anticancer Activity of the First Class of Dual Inhibitors of REV-ERBß and Autophagy. | J Med Chem 58: 5900-15 (2015) | Fondazione Istituto Italiano di Tecnologia | 2D 3D TSV |
26134551 | 25 | Novel benzidine and diaminofluorene prolinamide derivatives as potent hepatitis C virus NS5A inhibitors. | Eur J Med Chem 101: 163-78 (2015) | Seoul National University | 2D 3D TSV |
26134550 | 9 | Design, synthesis, pharmacological evaluation and molecular dynamics ofß-amino acids morphan-derivatives as novel ligands for opioid receptors. | Eur J Med Chem 101: 150-62 (2015) | Universidad de Salamanca | 2D 3D TSV |
26132413 | 2 | Identification and Co-complex Structure of a New S. pyogenes SpeB Small Molecule Inhibitor. | Biochemistry 54: 4365-73 (2015) | The Scripps Research Institute | 2D 3D TSV |
26132273 | 4 | Structure-Based Development of a Protein-Protein Interaction Inhibitor Targeting Tumor Necrosis Factor Receptor-Associated Factor 6. | J Med Chem 58: 5674-83 (2015) | Eisai Co., Ltd | 2D 3D TSV |
26130408 | 52 | Discovery of 2-arylamino-4-(1-methyl-3-isopropylsulfonyl-4-pyrazol-amino)pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors. | Bioorg Med Chem Lett 25: 3738-43 (2015) | Beijing Pearl Biotech Ltd | 2D 3D TSV |
26126123 | 31 | DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites. | J Med Chem 59: 4152-70 (2016) | University of Kansas | 2D 3D TSV |
26125948 | 9 | Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics. | J Med Chem 59: 1340-9 (2016) | University of Z£rich | 2D 3D TSV |
26125514 | 40 | Discovery of Novel Indazole Derivatives as Highly Potent and Selective Humanß3-Adrenergic Receptor Agonists with the Possibility of Having No Cardiovascular Side Effects. | J Med Chem 58: 6048-57 (2015) | Asahi Kasei Pharma Corporation | 2D 3D TSV |
26125327 | 93 | Structure-Affinity Relationships (SARs) and Structure-Kinetics Relationships (SKRs) of Kv11.1 Blockers. | J Med Chem 58: 5916-29 (2015) | Leiden University | 2D 3D TSV |
26125201 | 62 | Structural Requirements for CNS Active Opioid Glycopeptides. | J Med Chem 58: 5728-41 (2015) | The University of Arizona | 2D 3D TSV |
26125082 | 2 | Development of Safe and Effective Botanical Dietary Supplements. | J Med Chem 58: 8360-72 (2015) | University of Illinois College of Pharmacy | 2D 3D TSV |
26123643 | 90 | Synthesis and biological evaluation of novel myrtucommulones and structural analogues that target mPGES-1 and 5-lipoxygenase. | Eur J Med Chem 101: 133-49 (2015) | University of Jena | 2D 3D TSV |
26123642 | 38 | The interaction of 4-thiazolidinone derivatives containing indolin-2-one moiety with P-glycoprotein studied using K562 cell lines. | Eur J Med Chem 101: 126-32 (2015) | The First Affiliated Hospital of Dalian Medical University | 2D 3D TSV |
26123174 | 9 | Discovery of novel purine-based heterocyclic P2X7 receptor antagonists. | Bioorg Chem 61: 58-65 (2015) | Gwangju Institute of Science and Technology | 2D 3D TSV |
26122774 | 13 | Synthesis and biological evaluation of novel histone deacetylases inhibitors with nitric oxide releasing activity. | Bioorg Med Chem 23: 4481-4488 (2015) | Shandong University | 2D 3D TSV |
26122772 | 5 | ¿-Benzylidene digoxin derivatives synthesis and molecular modeling: Evaluation of anticancer and the Na,K-ATPase activity effect. | Bioorg Med Chem 23: 4397-404 (2015) | Universidade Federal de S£o Jo£o Del Rei | 2D 3D TSV |
26122211 | 3 | Discovery of non-competitive thrombin inhibitor derived from competitive tryptase inhibitor skeleton: Shift in molecular recognition resulted from skeletal conversion of carboxylate into phosphonate. | Bioorg Med Chem Lett 25: 3676-80 (2015) | Tokyo University of Pharmacy and Life Sciences | 2D 3D TSV |
26121481 | 37 | Discovery of Highly Isoform Selective Thiazolopiperidine Inhibitors of Phosphoinositide 3-Kinase¿. | J Med Chem 58: 5684-8 (2015) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
26120733 | 36 | 2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. | J Med Chem 58: 5548-60 (2015) | Northwestern University | 2D 3D TSV |
26119990 | 19 | Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors. | Bioorg Chem 61: 51-7 (2015) | University of Karachi | 2D 3D TSV |
26119500 | 22 | Discovery of a 6-(pyridin-3-yl)benzo[d]thiazole template for optimization of hedgehog and PI3K/AKT/mTOR dual inhibitors. | Bioorg Med Chem Lett 25: 3665-70 (2015) | Soochow University | 2D 3D TSV |
26117820 | 18 | Synthesis, characterization, evaluation and molecular dynamics studies of 5, 6-diphenyl-1,2,4-triazin-3(2H)-one derivatives bearing 5-substituted 1,3,4-oxadiazole as potential anti-inflammatory and analgesic agents. | Eur J Med Chem 101: 81-95 (2015) | Indian Institute of Technology (Banaras Hindu University) | 2D 3D TSV |
26117648 | 5 | Crystal structures of the apo form and a complex of human LMW-PTP with a phosphonic acid provide new evidence of a secondary site potentially related to the anchorage of natural substrates. | Bioorg Med Chem 23: 4462-71 (2015) | University of Campinas | 2D 3D TSV |
26117562 | 51 | Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease. | Bioorg Med Chem Lett 25: 3661-4 (2015) | Cubist Pharmaceuticals | 2D 3D TSV |
26116179 | 5 | Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents. | Bioorg Med Chem 23: 4442-52 (2015) | University of Ljubljana | 2D 3D TSV |
26116177 | 19 | Pyrroloaryls and pyrroloheteroaryls: Inhibitors of the HIV fusion/attachment, reverse transcriptase and integrase. | Bioorg Med Chem 23: 5247-63 (2015) | Institute of Experimental Botany ASCR & Palack£ University | 2D 3D TSV |
26115576 | 15 | Identification of a new p53/MDM2 inhibitor motif inspired by studies of chlorofusin. | Bioorg Med Chem Lett 25: 4878-80 (2015) | University of East Anglia | 2D 3D TSV |
26115573 | 67 | Initial optimization and series evolution of diaminopyrimidine inhibitors of interleukin-1 receptor associated kinase 4. | Bioorg Med Chem Lett 25: 3203-7 (2015) | Merck Research Laboratories | 2D 3D TSV |
26115571 | 38 | Cyclin dependent kinase (CDK) inhibitors as anticancer drugs. | Bioorg Med Chem Lett 25: 3420-35 (2015) | Eli Lilly and Company | 2D 3D TSV |
26115570 | 4 | Verruculides A and B, two new protein tyrosine phosphatase 1B inhibitors from an Indonesian ascidian-derived Penicillium verruculosum. | Bioorg Med Chem Lett 25: 3087-90 (2015) | Tohoku Pharmaceutical University | 2D 3D TSV |
26114812 | 26 | Identification of N-acylhydrazone derivatives as novel lactate dehydrogenase A inhibitors. | Eur J Med Chem 101: 63-70 (2015) | University of Bologna | 2D 3D TSV |
26114810 | 8 | Synthesis of 3,4-diaminobenzoyl derivatives as factor Xa inhibitors. | Eur J Med Chem 101: 41-51 (2015) | Southeast University | 2D 3D TSV |
26113188 | 9 | BN/CC isosterism in borazaronaphthalenes towards phosphodiesterase 10A (PDE10A) inhibitors. | Bioorg Med Chem 23: 4453-61 (2015) | University of Copenhagen | 2D 3D TSV |
26113187 | 30 | Synthesis and evaluation of N-analogs of 1,2-diarylethane as Helicobacter pylori urease inhibitors. | Bioorg Med Chem 23: 4508-4513 (2015) | Jishou University | 2D 3D TSV |
26112446 | 18 | Ionic derivatives of betulinic acid exhibit antiviral activity against herpes simplex virus type-2 (HSV-2), but not HIV-1 reverse transcriptase. | Bioorg Med Chem Lett 25: 3168-71 (2015) | Mercer University | 2D 3D TSV |
26112445 | 12 | Design and synthesis of constrained analogs of LCRF-0004 as potent RON tyrosine kinase inhibitors. | Bioorg Med Chem Lett 25: 3706-10 (2015) | Laboratoires ChemRF Inc/ChemRF Laboratories Inc | 2D 3D TSV |
26112443 | 84 | Design, synthesis and evaluation of MCH receptor 1 antagonists--Part I: Optimization of HTS hits towards an in vivo efficacious tool compound BI 414. | Bioorg Med Chem Lett 25: 3264-9 (2015) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
26112442 | 74 | Synthesis and biological evaluation of 3,5-disubstituted-4-alkynylisoxozales as a novel class of HSP90 inhibitors. | Bioorg Med Chem Lett 25: 3129-34 (2015) | Chengdu University of TCM | 2D 3D TSV |
26112438 | 31 | Identification of alpha-substituted acylamines as novel, potent, and orally active mGluR5 negative allosteric modulators. | Bioorg Med Chem Lett 25: 3135-41 (2015) | Toray Industries Inc | 2D 3D TSV |
26112437 | 20 | Synthesis and evaluation of pyrrolotriazine based molecules as PI3 kinase inhibitors. | Bioorg Med Chem Lett 25: 3142-6 (2015) | Sphaera Pharma Pte. Ltd | 2D 3D TSV |
26110200 | 30 | Discovery and Optimization of a Porcupine Inhibitor. | J Med Chem 58: 5889-99 (2015) | Experimental Therapeutics Centre | 2D 3D TSV |
26107513 | 172 | Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases. | J Med Chem 58: 5561-78 (2015) | Universit£ degli Studi di Bari"Aldo Moro" | 2D 3D TSV |
26107245 | 12 | Structure-based design of potent HIV-1 protease inhibitors with modified P1-biphenyl ligands: synthesis, biological evaluation, and enzyme-inhibitor X-ray structural studies. | J Med Chem 58: 5334-43 (2015) | Purdue University | 2D 3D TSV |
26105711 | 50 | In vitro evaluation and in silico screening of synthetic acetylcholinesterase inhibitors bearing functionalized piperidine pharmacophores. | Bioorg Med Chem 23: 4567-75 (2015) | Visva-Bharati (a Central University) | 2D 3D TSV |
26105196 | 52 | Sulfonamide bearing pyrazolylpyrazolines as potent inhibitors of carbonic anhydrase isoforms I, II, IX and XII. | Bioorg Med Chem Lett 25: 3208-12 (2015) | Kurukshetra University | 2D 3D TSV |
26105194 | 24 | Design, synthesis and evaluation of MCH receptor 1 antagonists--Part III: Discovery of pre-clinical development candidate BI 186908. | Bioorg Med Chem Lett 25: 3275-80 (2015) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
26102506 | 40 | Optimization of a Series of Triazole Containing Mammalian Target of Rapamycin (mTOR) Kinase Inhibitors and the Discovery of CC-115. | J Med Chem 58: 5599-608 (2015) | Celgene Corporation | 2D 3D TSV |
26101579 | 45 | Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series. | ACS Med Chem Lett 6: 711-5 (2015) | Genentech | 2D 3D TSV |
26101577 | 15 | Dehydro-?-proline Containing ?4?1 Integrin Antagonists: Stereochemical Recognition in Ligand-Receptor Interplay. | ACS Med Chem Lett 6: 701-6 (2015) | University of Bologna | 2D 3D TSV |
26101576 | 12 | Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2. | ACS Med Chem Lett 6: 695-700 (2015) | AbbVie Inc | 2D 3D TSV |
26101574 | 30 | Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4. | ACS Med Chem Lett 6: 683-8 (2015) | Merck & Co. | 2D 3D TSV |
26101573 | 32 | Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation. | ACS Med Chem Lett 6: 677-82 (2015) | Merck Research Laboratories | 2D 3D TSV |
26101571 | 45 | Identification of Jumonji AT-Rich Interactive Domain 1A Inhibitors and Their Effect on Cancer Cells. | ACS Med Chem Lett 6: 665-70 (2015) | Kyoto Prefectural University of Medicine | 2D 3D TSV |
26101570 | 22 | Amino Acid Thioester Derivatives: A Highly Promising Scaffold for the Development of Metallo-ß-lactamase L1 Inhibitors. | ACS Med Chem Lett 6: 660-4 (2015) | North-West University | 2D 3D TSV |
26101569 | 66 | Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. | ACS Med Chem Lett 6: 655-9 (2015) | Epizyme Inc | 2D 3D TSV |
26101568 | 51 | Discovery and Optimization of Selective Nav1.8 Modulator Series That Demonstrate Efficacy in Preclinical Models of Pain. | ACS Med Chem Lett 6: 650-4 (2015) | Pfizer Inc | 2D 3D TSV |
26101566 | 14 | Optimization of ADME Properties for Sulfonamides Leading to the Discovery of a T-Type Calcium Channel Blocker, ABT-639. | ACS Med Chem Lett 6: 641-4 (2015) | AbbVie Inc | 2D 3D TSV |
26101565 | 14 | Selective Acetamidine-Based Nitric Oxide Synthase Inhibitors: Synthesis, Docking, and Biological Studies. | ACS Med Chem Lett 6: 635-40 (2015) | University of Chieti"G. d'Annunzio" | 2D 3D TSV |
26101564 | 20 | MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors. | ACS Med Chem Lett 6: 630-4 (2015) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26101562 | 4 | Prostaglandin EP3 Receptor Antagonists May Provide Novel Treatment for Diabetes. | ACS Med Chem Lett 6: 626-7 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26101560 | 14 | Pyridinonaphthyridinone Inhibitors of Type 2 Methionine Aminopeptidase. | ACS Med Chem Lett 6: 622-3 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
26100442 | 17 | Discovery of novel, potent, selective and cellular active ADC type PTP1B inhibitors via fragment-docking-oriented de novel design. | Bioorg Med Chem 23: 4891-8 (2015) | Qilu University of Technology | 2D 3D TSV |
26100441 | 25 | Orally active ghrelin receptor inverse agonists and their actions on a rat obesity model. | Bioorg Med Chem 23: 4792-803 (2015) | Asubio Pharma Co., Ltd | 2D 3D TSV |
26100440 | 6 | Design, synthesis and preliminary biological evaluation of indoline-2,3-dione derivatives as novel HDAC inhibitors. | Bioorg Med Chem 23: 4728-36 (2015) | Shandong University | 2D 3D TSV |
26099993 | 5 | 3,5-Diarylpyrazole Derivatives Obtained by Ammonolysis of the Total Flavonoids from Chrysanthemum indicum Extract Show Potential for the Treatment of Alzheimer's Disease. | J Nat Prod 78: 1593-9 (2015) | Sun Yat-sen University | 2D 3D TSV |
26099539 | 18 | Molecular modeling based approach, synthesis, and cytotoxic activity of novel benzoin derivatives targeting phosphoinostide 3-kinase (PI3Ka). | Bioorg Med Chem Lett 25: 3120-4 (2015) | Al-Zaytoonah University of Jordan | 2D 3D TSV |
26099538 | 8 | Docking of competitive inhibitors to the P2X7 receptor family reveals key differences responsible for changes in response between rat and human. | Bioorg Med Chem Lett 25: 3164-7 (2015) | University of Leeds | 2D 3D TSV |
26099534 | 72 | Novel methyl substituted 1-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanones are P2X7 antagonists. | Bioorg Med Chem Lett 25: 3157-63 (2015) | Janssen Research and Development LLC | 2D 3D TSV |
26099069 | 15 | Therapeutic Potential of 5-HT6 Receptor Agonists. | J Med Chem 58: 7901-12 (2015) | Universit£ de Caen Basse-Normandie | 2D 3D TSV |
26098163 | 66 | Discovery of 4,5,6,7-Tetrahydrobenzo[1,2-d]thiazoles as Novel DNA Gyrase Inhibitors Targeting the ATP-Binding Site. | J Med Chem 58: 5501-21 (2015) | University of Ljubljana | 2D 3D TSV |
26098096 | 12 | Virtual High-Throughput Screening To Identify Novel Activin Antagonists. | J Med Chem 58: 5637-48 (2015) | Northwestern University | 2D 3D TSV |
26096680 | 17 | Exploration on natural product anibamine side chain modification toward development of novel CCR5 antagonists and potential anti-prostate cancer agents. | Bioorg Med Chem Lett 25: 3721-5 (2015) | Virginia Commonwealth University | 2D 3D TSV |
26096679 | 38 | Phenoxymethyl 1,3-oxazoles and 1,2,4-oxadiazoles as potent and selective agonists of free fatty acid receptor 1 (GPR40). | Bioorg Med Chem Lett 25: 3105-11 (2015) | Enamine Ltd | 2D 3D TSV |
26096678 | 16 | Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands. | Bioorg Med Chem Lett 25: 4903-4909 (2015) | Purdue University | 2D 3D TSV |
26096677 | 2 | An oxidative coupling product of luteolin with cysteine ester and its enhanced inhibitory activity for xanthine oxidase. | Bioorg Med Chem Lett 25: 3117-9 (2015) | Osaka City University | 2D 3D TSV |
26091726 | 41 | Discovery and characterization of a potent and selective EP4 receptor antagonist. | Bioorg Med Chem Lett 25: 3176-8 (2015) | Eli Lilly and Company | 2D 3D TSV |
26090771 | 68 | The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. | J Med Chem 58: 7140-63 (2015) | GlaxoSmithKline | 2D 3D TSV |
26088338 | 50 | Benzimidazole derivatives as potential dual inhibitors for PARP-1 and DHODH. | Bioorg Med Chem 23: 4669-80 (2015) | University of Malaya | 2D 3D TSV |
26088337 | 43 | Discovery of novel, non-acidic mPGES-1 inhibitors by virtual screening with a multistep protocol. | Bioorg Med Chem 23: 4839-45 (2015) | University of Innsbruck | 2D 3D TSV |
26088336 | 96 | 5-Aryl-1H-pyrazole-3-carboxylic acids as selective inhibitors of human carbonic anhydrases IX and XII. | Bioorg Med Chem 23: 4649-59 (2015) | University of Belgrade | 2D 3D TSV |
26087940 | 287 | Discovery of potent, selective small molecule inhibitors ofa-subtype of type III phosphatidylinositol-4-kinase (PI4KIIIa). | Bioorg Med Chem Lett 25: 3189-93 (2015) | AstraZeneca | 2D 3D TSV |
26087938 | 17 | Pharmacological profile of zacopride and new quaternarized fluorobenzamide analogues on mammaliana7 nicotinic acetylcholine receptor. | Bioorg Med Chem Lett 25: 3184-8 (2015) | Universit£ d'Orl£ans | 2D 3D TSV |
26087137 | 30 | Fragment-Based Discovery of a Small Molecule Inhibitor of Bruton's Tyrosine Kinase. | J Med Chem 58: 5437-44 (2015) | Takeda California Inc | 2D 3D TSV |
26087027 | 2 | Thiosemicarbazones as Aedes aegypti larvicidal. | Eur J Med Chem 100: 162-75 (2015) | Universidade Federal de Pernambuco | 2D 3D TSV |
26087021 | 94 | Novel Octahydropyrrolo[3,4-c]pyrroles Are Selective Orexin-2 Antagonists: SAR Leading to a Clinical Candidate. | J Med Chem 58: 5620-36 (2015) | TBA | 2D 3D TSV |
26086931 | 38 | Strategies for the Discovery of Target-Specific or Isoform-Selective Modulators. | J Med Chem 58: 7611-33 (2015) | Shandong University | 2D 3D TSV |
26083682 | 12 | Structures and Biological Evaluations of Agelasines Isolated from the Okinawan Marine Sponge Agelas nakamurai. | J Nat Prod 78: 1428-33 (2015) | Tohoku Pharmaceutical University | 2D 3D TSV |
26083478 | 66 | Discovery of mammalian target of rapamycin (mTOR) kinase inhibitor CC-223. | J Med Chem 58: 5323-33 (2015) | Celgene Corporation | 2D 3D TSV |
26081763 | 20 | Design and synthesis of new barbituric- and thiobarbituric acid derivatives as potent urease inhibitors: Structure activity relationship and molecular modeling studies. | Bioorg Med Chem 23: 6049-58 (2015) | The Islamia University of Bahawalpur | 2D 3D TSV |
26081760 | 4 | Novel inhibitors of RANKL-induced osteoclastogenesis: Design, synthesis, and biological evaluation of 6-(2,4-difluorophenyl)-3-phenyl-2H-benzo[e][1,3]oxazine-2,4(3H)-diones. | Bioorg Med Chem 23: 4522-32 (2015) | Taipei Medical University | 2D 3D TSV |
26081758 | 18 | Arylpiperazine agonists of the serotonin 5-HT1A receptor preferentially activate cAMP signaling versus recruitment ofß-arrestin-2. | Bioorg Med Chem 23: 4824-30 (2015) | Karolinska Institute and Karolinska University Hospital | 2D 3D TSV |
26081291 | 18 | Novel thiourea-based sirtuin inhibitory warheads. | Bioorg Med Chem Lett 25: 3319-24 (2015) | Jiangsu University | 2D 3D TSV |
26081289 | 14 | Novel (pyrazolyl)benzenesulfonamides with a nitric oxide-releasing moiety as selective cyclooxygenase-2 inhibitors. | Bioorg Med Chem Lett 25: 3295-300 (2015) | Technische Universitat Dresden | 2D 3D TSV |
26081023 | 55 | Identification of a potent 5-phenyl-thiazol-2-ylamine-based inhibitor of FLT3 with activity against drug resistance-conferring point mutations. | Eur J Med Chem 100: 151-61 (2015) | National Health Research Institutes | 2D 3D TSV |
26080064 | 141 | Structure-Based Design of¿-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors. | J Med Chem 58: 4927-39 (2015) | University of Michigan | 2D 3D TSV |
26079043 | 3 | Original 2-(3-Alkoxy-1H-pyrazol-1-yl)azines Inhibitors of Human Dihydroorotate Dehydrogenase (DHODH). | J Med Chem 58: 5579-98 (2015) | Institut Pasteur | 2D 3D TSV |
26078011 | 7 | NO-donor thiacarbocyanines as multifunctional agents for Alzheimer's disease. | Bioorg Med Chem 23: 4688-98 (2015) | Universit£ degli Studi di Torino | 2D 3D TSV |
26078010 | 28 | Discovery of an 8-methoxytetrahydroisoquinoline derivative as an orally active N-type calcium channel blocker for neuropathic pain without CYP inhibition liability. | Bioorg Med Chem 23: 4638-48 (2015) | Astellas Pharma Inc | 2D 3D TSV |
26077890 | 33 | Design, Synthesis, Biological Evaluation, and Docking Study of Acetylcholinesterase Inhibitors: New Acridone-1,2,4-oxadiazole-1,2,3-triazole Hybrids. | Chem Biol Drug Des 86: 1425-32 (2015) | Tehran University of Medical Sciences | 2D 3D TSV |
26077498 | 9 | Fluorescent photoaffinity probes for mitotic protein kinase Aurora A. | Bioorg Med Chem Lett 25: 3290-4 (2015) | University of Tartu | 2D 3D TSV |
26077497 | 21 | Synthesis of novel derivatives of oxindole, their urease inhibition and molecular docking studies. | Bioorg Med Chem Lett 25: 3285-9 (2015) | Universiti Teknologi MARA Puncak Alam Campus | 2D 3D TSV |
26077494 | 18 | Anti-influenza activities of polyphenols from the medicinal mushroom Phellinus baumii. | Bioorg Med Chem Lett 25: 3256-60 (2015) | Chonbuk National University | 2D 3D TSV |
26077492 | 92 | Design, synthesis and evaluation of MCH receptor 1 antagonists--Part II: Optimization of pyridazines toward reduced phospholipidosis and hERG inhibition. | Bioorg Med Chem Lett 25: 3270-4 (2015) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
26077491 | 31 | Discovery of [¹¹C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors. | Bioorg Med Chem Lett 25: 4893-8 (2015) | Merck Research Laboratories | 2D 3D TSV |
26073618 | 12 | Synthesis of benzimidazole derivatives as potent ß-glucuronidase inhibitors. | Bioorg Chem 61: 36-44 (2015) | Universiti Teknologi MARA (UiTM) | 2D 3D TSV |
26073006 | 56 | New 4-[(3-cyclohexyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzene-1-sulfonamides, synthesis and inhibitory activity toward carbonic anhydrase I, II, IX, XII. | Bioorg Med Chem Lett 25: 3281-4 (2015) | University of Cagliari | 2D 3D TSV |
26073005 | 18 | Synthesis and carbonic anhydrase inhibitory properties of novel uracil derivatives. | Bioorg Med Chem Lett 25: 3261-3 (2015) | AgriIbrahim£e£en University | 2D 3D TSV |
26071861 | 14 | Indoline ureas as potential anti-hepatocellular carcinoma agents targeting VEGFR-2: Synthesis, in vitro biological evaluation and molecular docking. | Eur J Med Chem 100: 89-97 (2015) | Egyptian Russian University | 2D 3D TSV |
26071858 | 116 | New systematically modified vesamicol analogs and their affinity and selectivity for the vesicular acetylcholine transporter - A critical examination of the lead structure. | Eur J Med Chem 100: 50-67 (2015) | Institute of Radiopharmaceutical Cancer Research | 2D 3D TSV |
26071372 | 89 | Synthesis and evaluation of novel 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives as potent and orally efficacious immunomodulators targeting JAK3. | Bioorg Med Chem 23: 4871-83 (2015) | Astellas Pharma Inc | 2D 3D TSV |
26071371 | 26 | Discovery of a 1-isopropyltetrahydroisoquinoline derivative as an orally active N-type calcium channel blocker for neuropathic pain. | Bioorg Med Chem 23: 4624-37 (2015) | Astellas Pharma Inc | 2D 3D TSV |
26070164 | 26 | Synthesis, biological evaluation, and molecular docking studies of novel 1-benzene acyl-2-(1-methylindol-3-yl)-benzimidazole derivatives as potential tubulin polymerization inhibitors. | Eur J Med Chem 99: 125-37 (2015) | Nanjing University | 2D 3D TSV |
26068018 | 76 | Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa. | Bioorg Med Chem 23: 4831-8 (2015) | University of Florida | 2D 3D TSV |
26062720 | 24 | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. | Biochemistry 54: 4075-82 (2015) | University of California Irvine | 2D 3D TSV |
26061284 | 26 | Synthesis, Biological Evaluation, and Docking of Dihydropyrazole Sulfonamide Containing 2-hydroxyphenyl Moiety: A Series of Novel MMP-2 Inhibitors. | Chem Biol Drug Des 86: 1405-10 (2015) | Nanjing University | 2D 3D TSV |
26061247 | 71 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. | J Med Chem 59: 1440-54 (2016) | The University of Texas M.D. Anderson Cancer Center | 2D 3D TSV |
26061158 | 136 | A selective prostaglandin E2 receptor subtype 2 (EP2) antagonist increases the macrophage-mediated clearance of amyloid-beta plaques. | J Med Chem 58: 5256-73 (2015) | Amgen Inc | 2D 3D TSV |
26061085 | 13 | Peptidomimeticß-Secretase Inhibitors Comprising a Sequence of Amyloid-ß Peptide for Alzheimer's Disease. | J Med Chem 58: 5408-18 (2015) | Instituto de Biologia Experimental e Tecnol£gica | 2D 3D TSV |
26061013 | 55 | Tankyrase 1 Inhibitors with Drug-like Properties Identified by Screening a DNA-Encoded Chemical Library. | J Med Chem 58: 5143-9 (2015) | Philochem AG | 2D 3D TSV |
26059596 | 58 | Discovery of 3,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2(1H)-one derivatives as novel JAK inhibitors. | Bioorg Med Chem 23: 4846-59 (2015) | Astellas Pharma Inc | 2D 3D TSV |
26057861 | 10 | Structure-based design of benzo[e]isoindole-1,3-dione derivatives as selective GSK-3ß inhibitors to activate Wnt/ß-catenin pathway. | Bioorg Chem 61: 21-7 (2015) | Peking University | 2D 3D TSV |
26054247 | 48 | Modular synthesis and biological activity of pyridyl-based analogs of the potent Class I Histone Deacetylase Inhibitor Largazole. | Bioorg Med Chem 23: 5061-74 (2015) | Colorado State University | 2D 3D TSV |
26052884 | 1 | Design, synthesis, and anticonvulsant activity of new hybrid compounds derived from 2-(2,5-dioxopyrrolidin-1-yl)propanamides and 2-(2,5-dioxopyrrolidin-1-yl)butanamides. | J Med Chem 58: 5274-86 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
26051755 | 2 | New monomeric and dimeric uridinyl derivatives as inhibitors of chitin synthase. | Bioorg Chem 61: 13-20 (2015) | Silesian University of Technology | 2D 3D TSV |
26051602 | 51 | Design, synthesis and biological evaluation of a novel series of peripheral-selective noradrenaline reuptake inhibitor. | Bioorg Med Chem 23: 5000-14 (2015) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
26048806 | 80 | Discovery of biaryl carboxylamides as potent ROR¿ inverse agonists. | Bioorg Med Chem Lett 25: 2991-7 (2015) | Biogen Idec Inc | 2D 3D TSV |
26048804 | 57 | Use of molecular modeling aided design to dial out hERG liability in adenosine A(2A) receptor antagonists. | Bioorg Med Chem Lett 25: 2958-62 (2015) | Merck Research Laboratories | 2D 3D TSV |
26048803 | 3 | Discovery of substituted 1,4-dihydroquinolines as novel promising class of P-glycoprotein inhibitors: First structure-activity relationships and bioanalytical studies. | Bioorg Med Chem Lett 25: 3005-8 (2015) | Martin-Luther-University Halle-Wittenberg | 2D 3D TSV |
26048800 | 55 | Biaryls as potent, tunable dual neurokinin 1 receptor antagonists and serotonin transporter inhibitors. | Bioorg Med Chem Lett 25: 3039-43 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26048798 | 45 | Naltrindole derivatives with fluorinated ethyl substituents on the 17-nitrogen asd opioid receptor inverse agonists. | Bioorg Med Chem Lett 25: 2927-30 (2015) | Kitasato University | 2D 3D TSV |
26048795 | 7 | Investigation on the sucrose binding pocket of HIV-1 Integrase by molecular dynamics and synergy experiments. | Bioorg Med Chem Lett 25: 3013-6 (2015) | Universit£ degli Studi di Siena | 2D 3D TSV |
26048794 | 22 | Synthesis and characterization of novel oxazines and demonstration that they specifically target cyclooxygenase 2. | Bioorg Med Chem Lett 25: 2931-6 (2015) | Bangalore University | 2D 3D TSV |
26048793 | 91 | Discovery of imidazo[1,5-a]pyridines and -pyrimidines as potent and selective RORc inverse agonists. | Bioorg Med Chem Lett 25: 2907-12 (2015) | Genentech | 2D 3D TSV |
26048792 | 4 | Identification of 3,5,6-substituted indolin-2-one's inhibitors of Aurora B by development of a luminescent kinase assay. | Bioorg Med Chem Lett 25: 2937-42 (2015) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
26048791 | 93 | Discovery of a novel trans-1,4-dioxycyclohexane GPR119 agonist series. | Bioorg Med Chem Lett 25: 3034-8 (2015) | Arena Pharmaceuticals | 2D 3D TSV |
26048789 | 143 | Discovery of novel pyrazole-containing benzamides as potent ROR¿ inverse agonists. | Bioorg Med Chem Lett 25: 2985-90 (2015) | Biogen | 2D 3D TSV |
26048785 | 15 | Meridianin derivatives as potent Dyrk1A inhibitors and neuroprotective agents. | Bioorg Med Chem Lett 25: 2948-52 (2015) | India Academy of Scientific & Innovative Research (AcSIR) | 2D 3D TSV |
26048027 | 21 | Synthesis, molecular docking and biological evaluation of 3-arylfuran-2(5H)-ones as anti-gastric ulcer agent. | Bioorg Med Chem 23: 4860-4865 (2015) | Jishou University | 2D 3D TSV |
26048024 | 84 | Design and synthesis of benzothiazole-6-sulfonamides acting as highly potent inhibitors of carbonic anhydrase isoforms I, II, IX and XII. | Bioorg Med Chem 23: 4989-99 (2015) | Jazan University | 2D 3D TSV |
26046697 | 46 | One-pot reaction to obtain N,N'-disubstituted guanidines of pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine scaffold as human A3 adenosine receptor antagonists. | J Med Chem 58: 5355-60 (2015) | Universit£ degli Studi di Ferrara | 2D 3D TSV |
26046313 | 20 | Design, synthesis and biological evaluation of novel 5-oxo-2-thioxoimidazolidine derivatives as potent androgen receptor antagonists. | Eur J Med Chem 99: 51-66 (2015) | Alla Chem LLC | 2D 3D TSV |
26045032 | 48 | Recent trends in orexin research--2010 to 2015. | Bioorg Med Chem Lett 25: 2875-87 (2015) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
26043948 | 44 | Synthesis and in vitro kinetic evaluation of N-thiazolylacetamido monoquaternary pyridinium oximes as reactivators of sarin, O-ethylsarin and VX inhibited human acetylcholinesterase (hAChE). | Bioorg Med Chem 23: 4899-910 (2015) | Defence Research & Development Establishment (DRDE) | 2D 3D TSV |
26043365 | 41 | Fragment-Based Design of Selective Nanomolar Ligands of the CREBBP Bromodomain. | J Med Chem 59: 1350-6 (2016) | University of Z£rich | 2D 3D TSV |
26042530 | 40 | Discovery of isoalloxazine derivatives as a new class of potential anti-Alzheimer agents and their synthesis. | Bioorg Chem 61: 7-12 (2015) | The M. S. University of Baroda | 2D 3D TSV |
26042529 | 21 | Development of novel adenosine receptor ligands based on the 3-amidocoumarin scaffold. | Bioorg Chem 61: 1-6 (2015) | Universidade do Porto | 2D 3D TSV |
26042340 | 77 | Development of novel CXC chemokine receptor 7 (CXCR7) ligands: selectivity switch from CXCR4 antagonists with a cyclic pentapeptide scaffold. | J Med Chem 58: 5218-25 (2015) | Kyoto University | 2D 3D TSV |
26041577 | 13 | Synthesis and structure-activity relationship of aminoarylthiazole derivatives as correctors of the chloride transport defect in cystic fibrosis. | Eur J Med Chem 99: 14-35 (2015) | Istituto Giannina Gaslini | 2D 3D TSV |
26039570 | 100 | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. | J Med Chem 58: 5028-37 (2015) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
26037808 | 75 | Design, synthesis and biological evaluation of novel condensed pyrrolo[1,2-c]pyrimidines featuring morpholine moiety as PI3Ka inhibitors. | Eur J Med Chem 99: 1-13 (2015) | Cairo University | 2D 3D TSV |
26037610 | 37 | Discovery and structural analyses of S-adenosyl-L-homocysteine hydrolase inhibitors based on non-adenosine analogs. | Bioorg Med Chem 23: 4952-69 (2015) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
26037322 | 100 | 3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1. | Bioorg Med Chem Lett 25: 3024-9 (2015) | Uppsala University | 2D 3D TSV |
26037319 | 14 | N-Substituted pyrazole-3-carboxamides as inhibitors of human 15-lipoxygenase. | Bioorg Med Chem Lett 25: 3017-23 (2015) | Uppsala University | 2D 3D TSV |
26035635 | 4 | Flavonoids from Perovskia atriplicifolia and Their in Vitro Displacement of the Respective Radioligands for Human Opioid and Cannabinoid Receptors. | J Nat Prod 78: 1461-5 (2015) | University of Mississippi | 2D 3D TSV |
26035239 | 1 | Natural Product Primary Sulfonamides and Primary Sulfamates. | J Nat Prod 78: 1470-7 (2015) | Griffith University | 2D 3D TSV |
26032487 | 92 | Discovery of new 4-alkoxyquinazoline-based derivatives as potent VEGFR2 inhibitors. | Chem Biol Drug Des 86: 1323-9 (2015) | Nanjing University | 2D 3D TSV |
26032047 | 15 | Novel 4-heteroaryl-antipyrines as DPP-IV inhibitors. | Chem Biol Drug Des 86: 1292-303 (2015) | Cairo University | 2D 3D TSV |
26030662 | 3 | In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. | J Nat Prod 78: 1189-92 (2015) | Charles University | 2D 3D TSV |
26030457 | 64 | Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. | J Med Chem 58: 5121-36 (2015) | Shanghai Chempartner Inc. | 2D 3D TSV |
26030312 | 18 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase. | J Med Chem 58: 4984-97 (2015) | Kitasato University | 2D 3D TSV |
26026769 | 24 | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. | Bioorg Med Chem 23: 3013-32 (2015) | University of Bath | 2D 3D TSV |
26025875 | 3 | New indole-isoxazolone derivatives: Synthesis, characterisation and in vitro SIRT1 inhibition studies. | Bioorg Med Chem Lett 25: 2768-72 (2015) | National Institute of Technology Karnataka | 2D 3D TSV |
26023814 | 79 | Novel N-Acetyl Bioisosteres of Melatonin: Melatonergic Receptor Pharmacology, Physicochemical Studies, and Phenotypic Assessment of Their Neurogenic Potential. | J Med Chem 58: 4998-5014 (2015) | IQM-CSIC | 2D 3D TSV |
26022844 | 20 | Discovery of xanthine oxidase inhibitors and/ora-glucosidase inhibitors by carboxyalkyl derivatization based on the flavonoid of apigenin. | Bioorg Med Chem Lett 25: 2778-81 (2015) | Beijing Institute of Pharmacology & Toxicology | 2D 3D TSV |
26022843 | 39 | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design. | Bioorg Med Chem Lett 25: 2818-23 (2015) | AMRI | 2D 3D TSV |
26022839 | 11 | Dihydropyrrolopyrazol-6-one MCHR1 antagonists for the treatment of obesity: Insights on in vivo efficacy from a novel FLIPR assay setup. | Bioorg Med Chem Lett 25: 2793-9 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
26022079 | 15 | Design, synthesis, and biological activity of phenyl-pyrazole derivatives as BCR-ABL kinase inhibitors. | Bioorg Med Chem 23: 3147-52 (2015) | Beijing University of Technology | 2D 3D TSV |
26022078 | 6 | Selective inhibition of prolyl 4-hydroxylases by bipyridinedicarboxylates. | Bioorg Med Chem 23: 3081-90 (2015) | University of Wisconsin-Madison | 2D 3D TSV |
26014484 | 12 | Design and synthesis of novel ROR inverse agonists with a dibenzosilole scaffold as a hydrophobic core structure. | Bioorg Med Chem 23: 2982-8 (2015) | The University of Tokyo | 2D 3D TSV |
26014480 | 87 | Insights into the interaction of negative allosteric modulators with the metabotropic glutamate receptor 5: discovery and computational modeling of a new series of ligands with nanomolar affinity. | Bioorg Med Chem 23: 3040-58 (2015) | University of Modena and Reggio Emilia | 2D 3D TSV |
26010811 | 19 | Structure-Activity Relationships of (+)-Naltrexone-Inspired Toll-like Receptor 4 (TLR4) Antagonists. | J Med Chem 58: 5038-52 (2015) | National Institute of Health | 2D 3D TSV |
26010728 | 6 | Design, Synthesis, and Evaluation of Thyronamine Analogues as Novel Potent Mouse Trace Amine Associated Receptor 1 (mTAAR1) Agonists. | J Med Chem 58: 5096-107 (2015) | University of Pisa | 2D 3D TSV |
26010585 | 13 | Structure-Activity Relationships of Neplanocin A Analogues as S-Adenosylhomocysteine Hydrolase Inhibitors and Their Antiviral and Antitumor Activities. | J Med Chem 58: 5108-20 (2015) | Seoul National University | 2D 3D TSV |
26010498 | 5 | Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20. | J Med Chem 58: 5088-95 (2015) | Georgia State University | 2D 3D TSV |
26010139 | 34 | Synthesis and anticholinergic activity of 4-hydroxycoumarin derivatives containing substituted benzyl-1,2,3-triazole moiety. | Chem Biol Drug Des 86: 1215-20 (2015) | Tehran University of Medical Sciences | 2D 3D TSV |
26009163 | 4 | A new class of ghrelin O-acyltransferase inhibitors incorporating triazole-linked lipid mimetic groups. | Bioorg Med Chem Lett 25: 2800-3 (2015) | Purdue University | 2D 3D TSV |
26007302 | 56 | New amide derivatives of Probenecid as selective inhibitors of carbonic anhydrase IX and XII: biological evaluation and molecular modelling studies. | Bioorg Med Chem 23: 2975-81 (2015) | University of Chieti-Pescara | 2D 3D TSV |
26005563 | 2 | Discovery of a new class of histone deacetylase inhibitors with a novel zinc binding group. | Medchemcomm 6: 613-618 (2015) | Medical University of South Carolina | 2D 3D TSV |
26005542 | 10 | Design and Evaluation of 3-(Benzylthio)benzamide Derivatives as Potent and Selective SIRT2 Inhibitors. | ACS Med Chem Lett 6: 607-11 (2015) | Northwestern University | 2D 3D TSV |
26005541 | 33 | Design, Synthesis, and Pharmacological Evaluation of Fusedß-Homophenylalanine Derivatives as Potent DPP-4 Inhibitors. | ACS Med Chem Lett 6: 602-6 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
26005540 | 14 | Design of Pyridopyrazine-1,6-dione¿-Secretase Modulators that Align Potency, MDR Efflux Ratio, and Metabolic Stability. | ACS Med Chem Lett 6: 596-601 (2015) | Pfizer Inc | 2D 3D TSV |
26005539 | 23 | Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. | ACS Med Chem Lett 6: 590-5 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
26005537 | 72 | Synthesis of mixed opioid affinity cyclic endomorphin-2 analogues with fluorinated phenylalanines. | ACS Med Chem Lett 6: 579-83 (2015) | Medical University of Lodz | 2D 3D TSV |
26005536 | 92 | Discovery of Benzimidazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys. | ACS Med Chem Lett 6: 573-8 (2015) | Merck Research Laboratories | 2D 3D TSV |
26005535 | 28 | Synthesis and Pharmacology ofa/ß(3)-Peptides Based on the Melanocortin Agonist Ac-His-dPhe-Arg-Trp-NH2 Sequence. | ACS Med Chem Lett 6: 568-72 (2015) | University of Minnesota | 2D 3D TSV |
26005534 | 158 | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. | ACS Med Chem Lett 6: 562-7 (2015) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
26005533 | 30 | Monocarboxylate transporter 1 inhibitors as potential anticancer agents. | ACS Med Chem Lett 6: 558-61 (2015) | Medical School Duluth | 2D 3D TSV |
26005531 | 2 | Synthesis and Initial in Vivo Studies with [(11)C]SB-216763: The First Radiolabeled Brain Penetrative Inhibitor of GSK-3. | ACS Med Chem Lett 6: 548-52 (2015) | University of Cambridge | 2D 3D TSV |
26005530 | 20 | N-(3-Ethynyl-2,4-difluorophenyl)sulfonamide Derivatives as Selective Raf Inhibitors. | ACS Med Chem Lett 6: 543-7 (2015) | Guangzhou Institutes of Biomedicine and Health | 2D 3D TSV |
26005528 | 41 | Discovery of a Potent Class of PI3Ka Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT). | ACS Med Chem Lett 6: 531-6 (2015) | GlaxoSmithKline | 2D 3D TSV |
26005525 | 5 | Design and Validation of FRESH, a Drug Discovery Paradigm Resting on Robust Chemical Synthesis. | ACS Med Chem Lett 6: 518-22 (2015) | Emory University | 2D 3D TSV |
26005524 | 147 | Discovery of MK-1421, a Potent, Selective sstr3 Antagonist, as a Development Candidate for Type 2 Diabetes. | ACS Med Chem Lett 6: 513-7 (2015) | Merck Research Laboratories | 2D 3D TSV |
26005523 | 37 | Design, Synthesis, and Biological Evaluation of Novel Imidazo[1,2-a]pyridine Derivatives as Potent c-Met Inhibitors. | ACS Med Chem Lett 6: 507-12 (2015) | Shanghai Institute of Materia Medica | 2D 3D TSV |
26005522 | 32 | Discovery of Quinazoline-Based Fluorescent Probes toa1-Adrenergic Receptors. | ACS Med Chem Lett 6: 502-6 (2015) | Shandong University | 2D 3D TSV |
26005521 | 15 | Antagonism/Agonism modulation to build novel antihypertensives selectively triggering i1-imidazoline receptor activation. | ACS Med Chem Lett 6: 496-501 (2015) | University of Camerino | 2D 3D TSV |
26005519 | 6 | Inhibitors of the PD-1/PD-L1 Pathway Can Mobilize the Immune System: An Innovative Potential Therapy for Cancer and Chronic Infections. | ACS Med Chem Lett 6: 489-90 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26005518 | 16 | Inhibitors of the PAR-2 Signaling Pathway May Treat Pain and Inflammation. | ACS Med Chem Lett 6: 487-8 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
26005026 | 25 | Synthesis, characterization, hypoglycemic and aldose reductase inhibition activity of arylsulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-diones. | Eur J Med Chem 98: 127-38 (2015) | Quaid-i-Azam University | 2D 3D TSV |
26005024 | 10 | Discovery of novel non-covalent inhibitors selective to theß5-subunit of the human 20S proteasome. | Eur J Med Chem 98: 61-8 (2015) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
26005023 | 25 | (±) cis-Bisamido epoxides: A novel series of potent FXIII-A inhibitors. | Eur J Med Chem 98: 49-53 (2015) | University of Leeds | 2D 3D TSV |
26004580 | 5 | An unprecedented dual antagonist and agonist of human Transglutaminase 2. | Bioorg Med Chem Lett 25: 4922-6 (2015) | Stanford University | 2D 3D TSV |
26004579 | 1 | Recent advances for FLAP inhibitors. | Bioorg Med Chem Lett 25: 2607-12 (2015) | AstraZeneca | 2D 3D TSV |
26003344 | 48 | Isolation of cholinesterase andß-secretase 1 inhibiting compounds from Lycopodiella cernua. | Bioorg Med Chem 23: 3126-34 (2015) | Catholic University of Daegu | 2D 3D TSV |
26003343 | 10 | Synthesis and evaluation of tamoxifen derivatives with a long alkyl side chain as selective estrogen receptor down-regulators. | Bioorg Med Chem 23: 3091-6 (2015) | National Institute of Health Sciences | 2D 3D TSV |
26003342 | 8 | Combination of 4-anilinoquinazoline and rhodanine as novel epidermal growth factor receptor tyrosine kinase inhibitors. | Bioorg Med Chem 23: 3221-7 (2015) | Soochow University | 2D 3D TSV |
26003339 | 12 | From AChE to BACE1 inhibitors: The role of the amine on the indanone scaffold. | Bioorg Med Chem Lett 25: 2804-8 (2015) | University of Bologna | 2D 3D TSV |
26002335 | 55 | Pyrazole phenylcyclohexylcarbamates as inhibitors of human fatty acid amide hydrolases (FAAH). | Eur J Med Chem 97: 289-305 (2015) | Universit£ di Ferrara | 2D 3D TSV |
26001341 | 19 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. | Bioorg Med Chem 23: 3260-8 (2015) | Eli Lilly and Company | 2D 3D TSV |
26001340 | 16 | Novel 2,5-disubtituted-1,3,4-oxadiazoles with benzimidazole backbone: a new class ofß-glucuronidase inhibitors and in silico studies. | Bioorg Med Chem 23: 3119-25 (2015) | Universiti Teknologi MARA | 2D 3D TSV |
26000707 | 20 | Isolation and Pharmacological Evaluation of Minor Cannabinoids from High-Potency Cannabis sativa. | J Nat Prod 78: 1271-6 (2015) | The University of Mississippi | 2D 3D TSV |