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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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 2365-9 (2016) Sungkyunkwan University 2D 3D TSV
26996371 27 Piperidine derivatives as nonprostanoid IP receptor agonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 115: 53-62 (2016) Shandong University 2D 3D TSV
26994638 27 Thiadiazole derivatives as New Class of▀-glucuronidase inhibitors.EBI 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.EBI 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.EBI 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)▀ Agonist.EBI J Med Chem 59: 3264-71 (2016) Vitae Pharmaceuticals Inc 2D 3D TSV
26988803 32 Design and evaluation of novel glutaminase inhibitors.EBI 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.EBI 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.EBI 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.EBI 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 receptor▀/d agonists with neuroprotective activity.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 7: 312-7 (2016) Merck Research Laboratories 2D 3D TSV
26985320 89 Discovery of G Protein-Biased EP2 Receptor Agonists.EBI 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.EBI ACS Med Chem Lett 7: 300-5 (2016) AstraZeneca 2D 3D TSV
26985318 5 Identification of a Small Molecule Cyclophilin D Inhibitor for Rescuing A▀-Mediated Mitochondrial Dysfunction.EBI 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.EBI 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.EBI 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.EBI 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 A▀ Reduction in Rodents.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 7: 134-8 (2016) Epizyme Inc. 2D 3D TSV
26985285 4 Dihydropteridinone Inhibitors of BRD4.EBI ACS Med Chem Lett 7: 131-131 (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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 2928-41 (2016) University of Minnesota 2D 3D TSV
26980109 42 2,4,6-Triaminopyrimidine as a Novel Hinge Binder in a Series of PI3Kd Selective Inhibitors.EBI 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.EBI 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.EBI 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.EBI 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 of▀-Secretase.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 1954-7 (2016) KBP Biosciences 2D 3D TSV
26976213 23 Fragment-based discovery of inhibitor scaffolds targeting the metallo-▀-lactamases NDM-1 and VIM-2.EBI Bioorg Med Chem Lett 26: 1973-7 (2016) UiT The Arctic University of Norway 2D 3D TSV
26974385 11 Synthesis, inávitro evaluation, and molecular modeling investigation of benzenesulfonimide peroxisome proliferator-activated receptorsa antagonists.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 114: 65-78 (2016) Shandong University 2D 3D TSV
26974375 11 Chroman-4-one and chromone based somatostatin▀-turn mimetics.EBI 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.EBI 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-,▀- and┐-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 1861-8 (2016) Pfizer Inc 2D 3D TSV
26965867 10 Design, synthesis and docking studies of novel dipeptidyl boronic acid proteasome inhibitors constructed fromaa- anda▀-amino acids.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 1749-56 (2016) Jiangxi Science & Technology Normal University 2D 3D TSV
26964674 1 Antiretroviral (HIV-1) activity of azulene derivatives.EBI 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.EBI 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.BDB 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.EBI 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.EBI Medchemcomm 6: 1767-1772 (2016) Imperial College 2D 3D TSV
26962429 15 Discovery of high affinity inhibitors of Leishmania donovani N-myristoyltransferase.EBI 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.EBI Bioorg Med Chem Lett 26: 2018-22 (2016) Universidad Aut£noma del Estado de Morelos 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 1619-36 (2016) Aptuit s.r.l 2D 3D TSV
26951893 96 Isatin analogs as novel inhibitors of Candida spp.▀-carbonic anhydrase enzymes.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI Medchemcomm 6: 1420-1426 (2016) University College London 2D 3D TSV
26949183 165 Identification of novel GLUT inhibitors.EBI 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.EBI 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.EBI 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-▀-amyloid aggregation and antioxidant properties for the treatment of Alzheimer's disease.EBI 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.BDB Chembiochem 17: 683-8 (2016) University of Siena 2D 3D TSV
26945113 9 Amyloid cascade in Alzheimer's disease: Recent advances in medicinal chemistry.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.BDB 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 2436-51 (2016) Wenzhou Medical University 2D 3D TSV
26937601 55 Structure-Based Design of an Iminoheterocyclic▀-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A▀ in Nonhuman Primates.EBI J Med Chem 59: 3231-48 (2016) Merck Research Laboratories 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.EBI 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.EBI 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.BDB 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.EBI J Med Chem 59: 2841-6 (2016) University of Southern Denmark 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI Eur J Med Chem 113: 1-10 (2016) Gazi University 2D 3D TSV
26920803 80 Sulfonamide inhibition studies of the▀-carbonic anhydrase from the newly discovered bacterium Enterobacter sp. B13.EBI 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.EBI 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").EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI J Med Chem 59: 4462-75 (2016) Boehringer Ingelheim RCV GmbH & Co KG 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.BDB Chem Biol Drug Des 88: 241-53 (2016) Shandong University 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.EBI 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 integrinaIIb▀3.EBI 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).EBI J Med Chem 59: 2734-46 (2016) University of Minnesota 2D 3D TSV
26907204 34 Design and synthesis of a new generation of substituted purine hydroxamate analogs as histone deacetylase inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 1844-8 (2016) Kyung Hee University 2D 3D TSV
26901666 26 Design and Synthesis of Benzimidazoles As Novel Corticotropin-Releasing Factor 1 Receptor Antagonists.EBI 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).EBI J Nat Prod 79: 616-28 (2016) Monash University (Parkville Campus) 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 1183-90 (2016) University of California 2D 3D TSV
26898814 154 SAR exploration at the C-3 position of tetrahydro-▀-carboline sstr3 antagonists.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 1554-7 (2016) Bristol-Myers Squibb Co. 2D 3D TSV
26898335 22 Identification of potent and selective MTH1 inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.BDB 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.EBI J Med Chem 59: 2660-73 (2016) McMaster 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 III▀.EBI 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.EBI Bioorg Med Chem Lett 26: 1508-11 (2016) Hefei University of Technology 2D 3D TSV
26881908 13 De Novo Design at the Edge of Chaos.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 1571-5 (2016) Beijing University of Technology 2D 3D TSV
26878343 114 Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.EBI 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.BDB J Med Chem 59: 6595-628 (2016) TBA 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 1298-307 (2016) Birla Institute of Technology 2D 3D TSV
26866968 59 Potenta-amino-▀-lactam carbamic acid ester as NAAA inhibitors. Synthesis and structure-activity relationship (SAR) studies.EBI 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.BDB 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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, ▀-glucuronidase inhibiton and their molecular docking studies.BDB 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 111: 33-45 (2016) University of Manchester 2D 3D TSV
26853167 52 Anion inhibition studies of the▀-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 938-56 (2016) Baylor University 2D 3D TSV
26852005 82 Novel N-acyl-carbazole derivatives as 5-HT7R antagonists.EBI 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.EBI 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.BDB 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.BDB 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.EBI 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 the▀-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 1485-9 (2016) Campus Inc 2D 3D TSV
26848108 36 Design and optimization of tricyclic gamma-secretase modulators.EBI 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.EBI J Med Chem 59: 2179-91 (2016) University of Salerno 2D 3D TSV
26843921 39 Identification of pyrazine-based TrkA inhibitors: design, synthesis, evaluation, and computational modeling studies.EBI 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.EBI 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.EBI Eur J Med Chem 110: 259-66 (2016) Egyptian Russian University 2D 3D TSV
26840365 3 New quinoline derivatives as nicotinic receptor modulators.EBI 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.EBI 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: Powerful▀-galactosidase inhibitors and low concentration activators of GM1-gangliosidosis-related human lysosomal▀-galactosidase.EBI Bioorg Med Chem Lett 26: 1438-42 (2016) Graz University of Technology 2D 3D TSV
26836364 30 Optimization by Molecular Fine Tuning of Dihydro-▀-agarofuran Sesquiterpenoids as Reversers of P-Glycoprotein-Mediated Multidrug Resistance.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 1063-70 (2016) RTI International 2D 3D TSV
26826732 1 Pyridoxine hydroxamic acids as novel HIV-integrase inhibitors.EBI 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 IKK▀ inhibitor.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 1089-94 (2016) Tohoku Pharmaceutical University 2D 3D TSV
26821821 38 Discovery of spirocyclic proline tryptophan hydroxylase-1 inhibitors.EBI 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.EBI Bioorg Med Chem Lett 26: 1184-7 (2016) Lexicon Pharmaceuticals, Inc. 2D 3D TSV
26821818 25 Inhibition of monoamine oxidase by benzoxathiolone analogues.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 109: 360-70 (2016) Universit£ de Lille 2D 3D TSV
26819675 26 Potent Small Agonists of Protease Activated Receptor 2.EBI 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.EBI 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.EBI ACS Med Chem Lett 7: 94-9 (2016) AstraZeneca 2D 3D TSV
26819671 51 Optimizing Ligand Efficiency of Selective Androgen Receptor Modulators (SARMs).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 7: 23-7 (2016) Central Pharmaceutical Research Institute 2D 3D TSV
26819658 30 Sulfonamide Derivatives and Pharmaceutical Applications Thereof.EBI ACS Med Chem Lett 7: 12-4 (2016) Temple University 2D 3D TSV
26819657 8 Cyclopropanamine Compounds and Use Thereof.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 989-94 (2016) University of Milano 2D 3D TSV
26818694 8 ▀-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ) from Francisella tularensis and Yersinia pestis: Structure Determination, Enzymatic Characterization, and Cross-Inhibition Studies.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI J Nat Prod 79: 293-9 (2016) Sejong University 2D 3D TSV
26807541 1 Pyrrole: An emerging scaffold for construction of valuable therapeutic agents.EBI 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.EBI 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-3▀ Inhibitors with Anti-inflammatory Potential.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 1078-101 (2016) The Institute of Cancer Research 2D 3D TSV
26796065 2 Investigation ofa-conotoxin unbinding using umbrella sampling.EBI 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.EBI Bioorg Med Chem 24: 886-93 (2016) Southeast University 2D 3D TSV
26795114 72 Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action.EBI 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.EBI Bioorg Med Chem 24: 849-57 (2016) Henan University 2D 3D TSV
26795112 6 Structural features underlying raloxifene's biophysical interaction with bone matrix.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 1193-5 (2016) Waseda University 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.EBI 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.EBI J Med Chem 59: 1984-2004 (2016) High Magnetic Field Laboratory 2D 3D TSV
26789491 44 PotentÁ-Opioid Receptor Agonists from Cyclic Peptides Tyr-c[D-Lys-Xxx-Tyr-Gly]: Synthesis, Biological, and Structural Evaluation.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB Bioorg Chem 64: 97-102 (2016) Indian Institute of Integrative Medicine 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.EBI 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.EBI J Med Chem 59: 1140-8 (2016) Karolinska Institutet 2D 3D TSV
26771245 7 Recent developments of 2-aminothiazoles in medicinal chemistry.EBI 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.EBI J Med Chem 59: 1370-87 (2016) GlaxoSmithKline 2D 3D TSV
26771129 13 Dihydropyrimidine based hydrazine dihydrochloride derivatives as potent urease inhibitors.BDB 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 931-5 (2016) Eli Lilly and Company 2D 3D TSV
26764190 4 Peptide-based inhibitors of protein-protein interactions.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 947-64 (2016) University of Warwick 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 dualaV▀3 anda5▀1 integrin ligands.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 1003-20 (2016) GlaxoSmithKline 2D 3D TSV
26750258 67 TRPA1 channels as targets for resveratrol and related stilbenoids.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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).EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 of▀-galactosidase (E. coli).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 108: 623-43 (2016) Semmelweis University 2D 3D TSV
26723530 68 Improving selectivity of dopamine D3 receptor ligands.EBI 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.BDB 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.EBI Eur J Med Chem 108: 586-93 (2016) Anhui Agricultural University 2D 3D TSV
26719209 7 Structural insights into mechanisms for inhibiting amyloid▀42 aggregation by non-catechol-type flavonoids.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 108: 564-76 (2016) Bryn Mawr College 2D 3D TSV
26717204 17 Drug design, synthesis, inávitro 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 1199-203 (2015) University of Michigan 2D 3D TSV
26713103 7 Potent Triazole Bisphosphonate Inhibitor of Geranylgeranyl Diphosphate Synthase.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 24: 85-91 (2016) University of Arizona 2D 3D TSV
26712096 3 9-Benzoyl 9-deazaguanines as potent xanthine oxidase inhibitors.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 315-7 (2016) Tohoku Pharmaceutical University 2D 3D TSV
26710088 248 Recent Progress in Histone Demethylase Inhibitors.EBI J Med Chem 59: 1308-29 (2016) University of Oxford 2D 3D TSV
26709102 142 Discovery of Vibegron: A Potent and Selective▀3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 PPAR▀/d antagonists: Effects on the affinity and selectivity towards PPAR▀/d.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 thea3▀4 nicotinic acetylcholine receptor subtype.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 26: 484-94 (2016) Shenyang Pharmaceutical University 2D 3D TSV
26706172 21 a-Aryl pyrrolidine sulfonamides as TRPA1 antagonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 1501-17 (2016) European Institute of Oncology 2D 3D TSV
26701387 16 Benzobisthiazoles Represent a Novel Scaffold for Kinase Inhibitors of CLK Family Members.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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-3▀ Inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI J Med Chem 59: 545-58 (2016) Charles University 2D 3D TSV
26685731 33 Structure-Activity Relationship of Azaindole-Based Glucokinase Activators.EBI 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.BDB 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 313-27 (2016) Pfizer Inc 2D 3D TSV
26653614 36 Flat SAR of P3-methylsulphonamide based small molecule legumain inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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?EBI 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 ▀-Cell Protection.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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 theÁ-Opioid Receptor.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 7685-93 (2015) Shandong University 2D 3D TSV
26620255 42 Discovery of the imidazole-derived GPR40 agonist AM-3189.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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 inávitro biological evaluation.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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?EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 9742-53 (2015) Leiden University 2D 3D TSV
26583263 3 1,9-seco-Bicyclic Polyprenylated Acylphloroglucinols from Hypericum uralum.EBI 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, inávitro evaluation and SAR studies.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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 inávitro evaluation of 1,8-dipyridinyl- and 1-pyridinyl-substituted imidazo[1,5-a]quinoxalines.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 9214-27 (2015) China Pharmaceutical University 2D 3D TSV
26555154 36 AXL Inhibitors in Cancer: A Medicinal Chemistry Perspective.EBI 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.EBI J Med Chem 58: 9179-95 (2015) Wayne State University 2D 3D TSV
26551342 7 Meroterpenoids from a Tropical Dysidea sp. Sponge.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 5743-7 (2015) AstraZeneca 2D 3D TSV
26546218 13 Structure-activity-relationship of amide and sulfonamide analogs of omarigliptin.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI Bioorg Med Chem 23: 7313-23 (2015) Universit£ Clermont Auvergne 2D 3D TSV
26526743 15 Synthesis of novel benzohydrazone-oxadiazole hybrids as▀-glucuronidase inhibitors and molecular modeling studies.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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-EfficacyÁ-Opioid Receptor (MOR) Agonists/d-Opioid Receptor (DOR) Antagonists: Balancing MOR and DOR Affinities.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 7219-25 (2015) Aristotle University of Thessaloniki 2D 3D TSV
26497283 68 Macrocyclic prolinyl acyl guanidines as inhibitors of▀-secretase (BACE).EBI 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.EBI 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.BDB 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.BDB 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.EBI J Med Chem 58: 8907-19 (2015) Technische Universit£t Darmstadt 2D 3D TSV
26496175 28 Identification of▀-Lapachone Analogs as Novel MALT1 Inhibitors To Treat an Aggressive Subtype of Diffuse Large B-Cell Lymphoma.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 7138-49 (2015) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
26494260 36 Muscarinic acetylcholine receptor binding affinities of pethidine analogs.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 8783-95 (2015) The University of Kansas 2D 3D TSV
26488902 15 Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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-▀ type I receptor kinase.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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-▀-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 8573-83 (2015) University of Arizona 2D 3D TSV
26465079 6 Computational Tools To Model Halogen Bonds in Medicinal Chemistry.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 5172-7 (2015) AstraZeneca 2D 3D TSV
26462195 29 2-Aminopyrimidines as dual adenosine A1/A2A antagonists.EBI 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.EBI 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.EBI 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).EBI J Med Chem 58: 8743-9 (2015) University of New South Wales 2D 3D TSV
26460788 45 Novel Series of Dihydropyridinone P2X7 Receptor Antagonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB Bioorg Chem 63: 58-63 (2015) Quaid-i-Azam University 2D 3D TSV
26436839 14 New IDH1 mutant inhibitors for treatment of acute myeloid leukemiaBDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 7061-8 (2015) Georgia State University 2D 3D TSV
26432037 14 Monoamine oxidase inhibitory activities of heterocyclic chalcones.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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 SchizophrenicsEBI 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.EBI 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.EBI Bioorg Med Chem 23: 6573-80 (2015) Dumlupinar University 2D 3D TSV
26422006 13 Inhibiting the Inflammasome: A Chemical Perspective.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 6666-72 (2015) China Pharmaceutical University 2D 3D TSV
26419422 33 Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands.EBI 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.EBI 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.BDB Chembiochem 16: 2445-50 (2015) Hans Kn÷ll 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 103: 583-93 (2015) Egyptian Russian University 2D 3D TSV
26408814 5 Diethylstilbestrol-scaffold-based pregnane X receptor modulators.EBI 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.EBI 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.EBI J Med Chem 58: 8128-40 (2015) AstraZeneca 2D 3D TSV
26406919 9 Highly Substituted Cyclopentane-CMP Conjugates as Potent Sialyltransferase Inhibitors.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.BDB 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 987-92 (2015) Amgen Inc 2D 3D TSV
26396684 15 Identification of Bidentate Salicylic Acid Inhibitors of PTP1B.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI J Med Chem 58: 8166-81 (2015) Shanghai University 2D 3D TSV
26390077 42 Tactical Approaches to Interconverting GPCR Agonists and Antagonists.EBI 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.EBI Bioorg Med Chem 23: 6632-40 (2015) Shandong University 2D 3D TSV
26386819 12 Rhododendrol glycosides as stereospecific tyrosinase inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 fora4▀2 neuronal nicotinic acetylcholine receptors.EBI 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.EBI J Med Chem 58: 7888-94 (2015) Merck Research Laboratories 2D 3D TSV
26378740 37 1,4-Oxazine▀-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 6659-65 (2015) Chungnam National University 2D 3D TSV
26372073 1 Reengineered tricyclic anti-cancer agents.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 7719-33 (2015) Heidelberg University 2D 3D TSV
26367138 12 Design, Virtual Screening, and Synthesis of Antagonists ofaIIb▀3 as Antiplatelet Agents.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 4363-9 (2015) University of South Alabama 2D 3D TSV
26364932 22 Structure and Inhibition of Microbiome ▀-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.BDB 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.EBI 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.EBI 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.EBI Eur J Med Chem 103: 343-53 (2015) Shenyang Pharmaceutical University 2D 3D TSV
26363868 10 3-Nitrotriazole-based piperazides as potent antitrypanosomal agents.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 7833-49 (2015) University of Kansas 2D 3D TSV
26351728 96 Benzimidazole Derivatives as Potent JAK1-Selective Inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 59: 487-96 (2016) National Cancer Institute-CRO 2D 3D TSV
26338362 40 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 6418-26 (2015) Chonnam National University 2D 3D TSV
26337018 44 Multifunctional novel Diallyl disulfide (DADS) derivatives with▀-amyloid-reducing, cholinergic, antioxidant and metal chelating properties for the treatment of Alzheimer's disease.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 17▀-HSD1 inhibitors showing strong activity towards both the human and the rat enzyme.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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 SelectiveEBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 102: 540-51 (2015) Shiv Nadar University 2D 3D TSV
26310895 29 Quinazolinedione SIRT6 inhibitors sensitize cancer cells to chemotherapeutics.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 7370-80 (2015) Novo Nordisk A/S 2D 3D TSV
26306982 4 Novel 11▀-HSD1 inhibitors: C-1 versus C-2 substitution and effect of the introduction of an oxygen atom in the adamantane scaffold.EBI 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.EBI J Med Chem 58: 6994-7006 (2015) Purdue University 2D 3D TSV
26305181 13 Discovery of Potent 17▀-Hydroxywithanolides for Castration-Resistant Prostate Cancer by High-Throughput Screening of a Natural Products Library for Androgen-Induced Gene Expression Inhibitors.EBI 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.EBI 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 thea4▀2 nicotinic acetylcholine receptor with analogs of 3-(dimethylamino)butyl dimethylcarbamate (DMABC) and 1-(pyridin-3-yl)-1,4-diazepane.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 4136-42 (2015) Amgen Inc 2D 3D TSV
26298497 4 Recent progress on MAP kinase pathway inhibitors.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI J Med Chem 58: 6747-52 (2015) Novartis Institutes for BioMedical Research 2D 3D TSV
26288266 4 Medicinal Chemistry Approaches to Heart Regeneration.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB BMC Biochem 16: 19 (2015) Texas Wesleyan University 2D 3D TSV
26286460 25 Discovery of Bivalent Kinase Inhibitors via Enzyme-Templated Fragment Elaboration.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 17▀-hydroxysteroid dehydrogenase type 3.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 7021-56 (2015) GlaxoSmithKline 2D 3D TSV
26267383 25 Design and Synthesis of Non-Peptide, Selective Orexin Receptor 2 Agonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 7224-40 (2015) Universit£ di Pisa 2D 3D TSV
26260335 14 Tight binding enantiomers of pre-clinical drug candidates.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 3784-7 (2015) Sejong University 2D 3D TSV
26259804 23 Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.EBI 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.EBI J Med Chem 58: 7164-72 (2015) Pfizer Inc 2D 3D TSV
26258521 104 Development of Selective Covalent Janus Kinase 3 Inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 3900-2 (2015) Tohoku Pharmaceutical University 2D 3D TSV
26252963 15 Novel diazabicycloalkane delta opioid agonists.EBI 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.EBI Bioorg Med Chem 23: 5466-75 (2015) Chiba University 2D 3D TSV
26248803 1 Synergistic activation of quorum sensing in Vibrio harveyi.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 102: 58-67 (2015) Pharmaleads 2D 3D TSV
26241876 1 Triazine as a promising scaffold for its versatile biological behavior.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 ▀-Lactamase from Mycobacterium tuberculosis.BDB Biochemistry 54: 5657-64 (2015) Indian Institute of Technology 2D 3D TSV
26236460 36 Structure-Based Design, Synthesis by Click Chemistry and EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Nat Prod 78: 1816-22 (2015) Hebei University 2D 3D TSV
26230724 10 New Frontiers in Druggability.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 6639-52 (2015) IQM-CSIC 2D 3D TSV
26226049 87 Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.EBI 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 asa4▀2-Nicotinic Acetylcholine Receptor Agonists.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB ACS Chem Biol 10: 2325-33 (2015) Technische Universitńt MŘnchen 2D 3D TSV
26218651 16 Synthesis and in vitro characterization of novel fluorinated derivatives of the TSPO 18 kDa ligand SSR180575.EBI 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.EBI 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).BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 5881-90 (2015) The Walter and Eliza Hall Institute of Medical Research 2D 3D TSV
26211459 16 A-ring substituted 17▀-arylsulfonamides of 17▀-aminoestra-1,3,5(10)-trien-3-ol as highly potent reversible inhibitors of steroid sulfatase.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 101: 627-39 (2015) Ghent University 2D 3D TSV
26204509 34 Small lipidated anti-obesity compounds derived from neuromedin U.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 5979-88 (2015) University of Auckland 2D 3D TSV</