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28892605 20 Inhibitors of the Diadenosine Tetraphosphate Phosphorylase Rv2613c of Mycobacterium tuberculosis.BDB ACS Chem Biol 12: 2682-2689 (2017) University of Konstanz 2D 3D TSV
28849908 13 Selective Targeting of Bromodomains of the Bromodomain-PHD Fingers Family Impairs Osteoclast Differentiation.BDB ACS Chem Biol 12: 2619-2630 (2017) Oxford University 2D 3D TSV
28841282 2 Synthetic Lethality Triggered by Combining Olaparib with BRCA2-Rad51 Disruptors.BDB ACS Chem Biol 12: 2491-2497 (2017) Istituto Italiano di Tecnologia 2D 3D TSV
28836754 31 Cell Lysate-Based AlphaLISA Deubiquitinase Assay Platform for Identification of Small Molecule Inhibitors.BDB ACS Chem Biol 12: 2399-2407 (2017) University of Delaware 2D 3D TSV
28796488 9 Direct Interaction of Chivosazole F with Actin Elicits Cell Responses Similar to Latrunculin A but Distinct from Chondramide.BDB ACS Chem Biol 12: 2264-2269 (2017) Novartis Pharma AG 2D 3D TSV
28793191 32 Structural Basis of Analog Specificity in PKG I and II.BDB ACS Chem Biol 12: 2388-2398 (2017) Baylor College of Medicine 2D 3D TSV
28719185 21 Small Molecule Enhancement of 20S Proteasome Activity Targets Intrinsically Disordered Proteins.BDB ACS Chem Biol 12: 2240-2247 (2017) Michigan State University 2D 3D TSV
28569147 21 Serendipitous discovery of light-induced (In Situ) formation of an Azo-bridged dimeric sulfonated naphthol as a potent PTP1B inhibitor.BDB BMC Biochem 18: 10 (2017) Concordia University of Wisconsin 2D 3D TSV
28525735 2 Structure-based rational design of self-inhibitory peptides to disrupt the intermolecular interaction between the troponin subunits C and I in neuropathic pain.BDB Bioorg Chem 73: 10-15 (2017) The Affiliated Hospital of Qingdao University 2D 3D TSV
28521172 11 Hetarylcoumarins: Synthesis and biological evaluation as potent a-glucosidase inhibitors.BDB Bioorg Chem 73: 1-9 (2017) Kinnaird College for Women 2D 3D TSV
28501648 14 Tetrahydroacridine derivatives with fluorobenzoic acid moiety as multifunctional agents for Alzheimer's disease treatment.BDB Bioorg Chem 72: 315-322 (2017) Medical University of Lodz 2D 3D TSV
28500957 30 Design & synthesis of novel oxazolone & triazinone derivatives and their biological evaluation as COX-2 inhibitors.BDB Bioorg Chem 72: 308-314 (2017) Cairo University 2D 3D TSV
28481502 8 Efficient Inhibition of SmNACE by Coordination Complexes Is Abolished by S. mansoni Sequestration of Metal.BDB ACS Chem Biol 12: 1787-1795 (2017) CAMB UMR 7199 CNRS-Universite de Strasbourg 2D 3D TSV
28481076 7 Heme Proximal Hydrogen Bonding between His170 and Asp132 Plays an Essential Role in the Heme Degradation Reaction of HutZ from Vibrio cholerae.BDB Biochemistry 56: 2723-2734 (2017) Hokkaido University 2D 3D TSV
28460360 13 Design, synthesis and biological activity of 3-oxoamino-benzenesulfonamides as selective and reversible LSD1 inhibitors.BDB Bioorg Chem 72: 182-189 (2017) China Pharmaceutical University 2D 3D TSV
28460359 25 Synthesis and biological evaluation of benzimidazole derivatives as the G9a Histone Methyltransferase inhibitors that induce autophagy and apoptosis of breast cancer cells.BDB Bioorg Chem 72: 168-181 (2017) Shenyang Pharmaceutical University 2D 3D TSV
28441502 4 Differential Coupling of Binding, ATP Hydrolysis, and Transport of Fluorescent Probes with P-Glycoprotein in Lipid Nanodiscs.BDB Biochemistry 56: 2506-2517 (2017) University of Washington 2D 3D TSV
28440616 7 Discovery and Characterization of a Eukaryotic Initiation Factor 4A-3-Selective Inhibitor That Suppresses Nonsense-Mediated mRNA Decay.BDB ACS Chem Biol 12: 1760-1768 (2017) BC Cancer Agency 2D 3D TSV
28425720 3 A Cereblon Modulator (CC-220) with Improved Degradation of Ikaros and Aiolos.BDB J Med Chem 61: 535-542 (2017) Celgene Corporation 2D 3D TSV
28411407 18 New 1,2-diaryl-4-substituted-benzylidene-5-4H-imidazolone derivatives: Design, synthesis and biological evaluation as potential anti-inflammatory and analgesic agents.BDB Bioorg Chem 72: 123-129 (2017) Beni-Suef University; Ibn Sina National College for Medical Studies 2D 3D TSV
28411406 16 Discovery of novel 2-substituted-4-(2-fluorophenoxy) pyridine derivatives possessing pyrazolone and triazole moieties as dual c-Met/VEGFR-2 receptor tyrosine kinase inhibitorsBDB Bioorg Chem 72: 116-122 (2017) China Pharmaceutical University 2D 3D TSV
28406289 4 Phylogenomic Analysis of the Microviridin Biosynthetic Pathway Coupled with Targeted Chemo-Enzymatic Synthesis Yields Potent Protease Inhibitors.BDB ACS Chem Biol 12: 1538-1546 (2017) University of Helsinki 2D 3D TSV
28390994 15 Carbohydrazones as new class of carbonic anhydrase inhibitors: Synthesis, kinetics, and ligand docking studies.BDB Bioorg Chem 72: 89-101 (2017) University of Karachi; Government College University Faisalabad 2D 3D TSV
28390993 46 New hybrid molecules combining benzothiophene or benzofuran with rhodanine as dual COX-1/2 and 5-LOX inhibitors: Synthesis, biological evaluation and docking study.BDB Bioorg Chem 72: 102-115 (2017) Alexandria University 2D 3D TSV
28387506 3 Interaction of Azole-Based Environmental Pollutants with the Coelomic Hemoglobin from Amphitrite ornata: A Molecular Basis for Toxicity.BDB Biochemistry 56: 2294-2303 (2017) North Carolina State University 2D 3D TSV
28384485 1 Synthesis and preliminary biological assay of uridine glycoconjugate derivatives containing amide and/or 1,2,3-triazole linkers.BDB Bioorg Chem 72: 80-88 (2017) Silesian University of Technology 2D 3D TSV
28376304 26 Origins of PDZ Binding Specificity. A Computational and Experimental Study Using NHERF1 and the Parathyroid Hormone Receptor.BDB Biochemistry 56: 2584-2593 (2017) The University of Queensland 2D 3D TSV
28376302 12 Multimodal Recognition of Diverse Peptides by the C-Terminal SH2 Domain of Phospholipase C-¿1 Protein.BDB Biochemistry 56: 2225-2237 (2017) University of Colorado Boulder 2D 3D TSV
28371664 15 Synthesis and study of anti-HIV-1 RT activity of 5-benzoyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one derivatives.BDB Bioorg Chem 72: 74-79 (2017) Birla Institute of Technology & Science 2D 3D TSV
28355052 5 Design, Synthesis, and Experimental Validation of Peptide Ligands Targeting Mycobacterium tuberculosis s Factors.BDB Biochemistry 56: 2209-2218 (2017) Indian Institute of Science 2D 3D TSV
28346871 9 Synthesis, in vitro evaluation and molecular docking studies of novel amide linked triazolyl glycoconjugates as new inhibitors of a-glucosidase.BDB Bioorg Chem 72: 11-20 (2017) CSIR-Indian Institute of Chemical Biology 2D 3D TSV
28345895 5 Asymmetric Anchoring Is Required for Efficient O-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.BDB Biochemistry 56: 2106-2115 (2017) University of Waterloo 2D 3D TSV
28345882 4 Covalent Allosteric Inactivation of Protein Tyrosine Phosphatase 1B (PTP1B) by an Inhibitor-Electrophile Conjugate.BDB Biochemistry 56: 2051-2060 (2017) University of Missouri 2D 3D TSV
28343940 23 Lithocholic Acid Hydroxyamide Destabilizes Cyclin D1 and Induces G0/G1 Arrest by Inhibiting Deubiquitinase USP2a.BDB Cell Chem Biol 24: 458-470 (2017) Jagiellonian University 2D 3D TSV
28340988 9 Rational design, synthesis, and structure-activity relationships of 5-amino-1H-pyrazole-4-carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors.EBI Bioorg Med Chem 25: 67-74 (2017) Advinus Therapeutics Ltd 2D 3D TSV
28340987 10 Discovery of novel curcumin derivatives targeting xanthine oxidase and urate transporter 1 as anti-hyperuricemic agents.EBI Bioorg Med Chem 25: 166-174 (2017) Soochow University 2D 3D TSV
28340913 4 Synthesis, activity and docking studies of phenylpyrimidine-carboxamide Sorafenib derivatives.EBI Bioorg Med Chem 24: 6166-6173 (2016) Jiangxi Science& Technology Normal University 2D 3D TSV
28340404 12 Synthesis, in vitro antiproliferative activity and kinase profile of new benzimidazole and benzotriazole derivatives.BDB Bioorg Chem 72: 1-10 (2017) Warsaw University of Technology 2D 3D TSV
28337326 3 Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.EBI ACS Med Chem Lett 8: 333-337 (2017) National Center for Scientific Research Demokritos 2D 3D TSV
28337323 23 Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.EBI ACS Med Chem Lett 8: 316-320 (2017) Takeda Pharmaceuticals 2D 3D TSV
28337319 28 Bifunctional Inhibitors as a New Tool To Reduce Cancer Cell Invasion by Impairing MMP-9 Homodimerization.EBI ACS Med Chem Lett 8: 293-298 (2017) Universit£ di Pisa 2D 3D TSV
28337317 30 Structural Requirements of HDAC Inhibitors: SAHA Analogues Modified at the C2 Position Display HDAC6/8 Selectivity.EBI ACS Med Chem Lett 8: 281-286 (2017) Wayne State University 2D 3D TSV
28337316 16 Bicyclic Ketone Sulfonamide Compounds.EBI ACS Med Chem Lett 8: 278-280 (2017) Temple University 2D 3D TSV
28323406 10 Affinity Selection-Mass Spectrometry Identifies a Novel Antibacterial RNA Polymerase Inhibitor.BDB ACS Chem Biol 12: 1346-1352 (2017) Merck & Co., Inc. 2D 3D TSV
28314097 8 Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.BDB ACS Chem Biol 12: 1390-1396 (2017) University of Cambridge 2D 3D TSV
28288109 58 In silico design of novel probes for the atypical opioid receptor MRGPRX2.BDB Nat Chem Biol 13: 529-536 (2017) University of North Carolina 2D 3D TSV
28287700 17 Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.BDB ACS Chem Biol 12: 1397-1415 (2017) Philipps-Universität Marburg 2D 3D TSV
28280261 84 Non-kinase targets of protein kinase inhibitors.EBI Nat Rev Drug Discov 16: 424-440 (2017) The University of Sydney 2D 3D TSV
28267984 35 Pyridoxine-resveratrol hybrids Mannich base derivatives as novel dual inhibitors of AChE and MAO-B with antioxidant and metal-chelating properties for the treatment of Alzheimer's disease.BDB Bioorg Chem 71: 305-314 (2017) Sichuan University 2D 3D TSV
28266777 4 Exploiting sp(2) -Hybridisation in the Development of Potent 1,5-a-l-Arabinanase Inhibitors.BDB Chembiochem 18: 974-978 (2017) University of Western Australia 2D 3D TSV
28262558 62 Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.BDB Cell Chem Biol 24: 371-380 (2017) University of Oxford 2D 3D TSV
28262556 7 Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides.BDB Cell Chem Biol 24: 381-390 (2017) The University of Tokyo 2D 3D TSV
28259376 11 Green synthesis, inhibition studies of yeast a-glucosidase and molecular docking of pyrazolylpyridazine amines.BDB Bioorg Chem 71: 170-180 (2017) University of the Punjab 2D 3D TSV
28253432 3 Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors.BDB Chembiochem 18: 914-920 (2017) University of Illinois 2D 3D TSV
28245905 70 Synthesis of readily available fluorophenylalanine derivatives and investigation of their biological activity.BDB Bioorg Chem 71: 244-256 (2017) Charles University 2D 3D TSV
28244987 10 Capzimin is a potent and specific inhibitor of proteasome isopeptidase Rpn11.BDB Nat Chem Biol 13: 486-493 (2017) California Institute of Technology 2D 3D TSV
28238723 39 Non-steroidal Anti-inflammatory Drugs Are Caspase Inhibitors.BDB Cell Chem Biol 24: 281-292 (2017) University of Colorado 2D 3D TSV
28236449 12 Synthesis, molecular docking and biological evaluation of some newer 2-substituted-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylpyridazin-3(2H)-ones as potential anti-inflammatory and analgesic agents.BDB Bioorg Chem 71: 201-210 (2017) Panjab University 2D 3D TSV
28225601 23 Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.BDB Biochemistry 56: 1865-1878 (2017) Stony Brook University 2D 3D TSV
28222243 5 Studies of the Binding of Modest Modulators of the Human Enzyme, Sirtuin 6, by STD NMR.BDB Chembiochem 18: 931-940 (2017) University at Albany 2D 3D TSV
28221775 5 Electrostatic Interactions as Mediators in the Allosteric Activation of Protein Kinase A RIa.BDB Biochemistry 56: 1536-1545 (2017) University of California, San Diego 2D 3D TSV
28215601 21 Design and synthesis of quinazoline-3,4-(4H)-diamine endowed with thiazoline moiety as new class for DPP-4 and DPPH inhibitor.BDB Bioorg Chem 71: 181-191 (2017) Jamia Hamdard (Hamdard University) 2D 3D TSV
28197316 54 Design and Synthesis of Novel, Selective GPR40 AgoPAMs.EBI ACS Med Chem Lett 8: 221-226 (2017) Merck Research Laboratories 2D 3D TSV
28197315 10 Affinity-Based Selectivity Profiling of an In-Class Selective Competitive Inhibitor of Acyl Protein Thioesterase 2.EBI ACS Med Chem Lett 8: 215-220 (2017) University of Michigan 2D 3D TSV
28197313 17 From Dynamic Combinatorial Chemistry toEBI ACS Med Chem Lett 8: 206-210 (2017) Universit£ Libre de Bruxelles (ULB) 2D 3D TSV
28197309 40 Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.EBI ACS Med Chem Lett 8: 185-190 (2017) Global Blood Therapeutics 2D 3D TSV
28196613 34 Potent and Selective EphA4 Agonists for the Treatment of ALS.BDB Cell Chem Biol 24: 293-305 (2017) Sanford-Burnham-Prebys Medical Discovery Institute 2D 3D TSV
28196602 16 Novel N-hydroxybenzamides incorporating 2-oxoindoline with unexpected potent histone deacetylase inhibitory effects and antitumor cytotoxicity.BDB Bioorg Chem 71: 160-169 (2017) Hanoi University of Pharmacy 2D 3D TSV
28195704 47 Highly Potent Cell-Permeable and Impermeable NanoLuc Luciferase Inhibitors.BDB ACS Chem Biol 12: 1028-1037 (2017) Promega Biosciences LLC 2D 3D TSV
28186725 42 Small Molecules Engage Hot Spots through Cooperative Binding To Inhibit a Tight Protein-Protein Interaction.BDB Biochemistry 56: 1768-1784 (2017) Indiana University School of Medicine 2D 3D TSV
28181383 13 Slowly on, Slowly off: Bisubstrate-Analogue Conjugates of 5-Iodotubercidin and Histone H3 Peptide Targeting Protein Kinase Haspin.BDB Chembiochem 18: 790-798 (2017) University of Tartu 2D 3D TSV
28181373 14 Characterisation of Photoaffinity-Based Chemical Probes by Fluorescence Imaging and Native-State Mass Spectrometry.BDB Chembiochem 18: 739-754 (2017) Griffith University 2D 3D TSV
28169518 6 Fragment Profiling Approach to Inhibitors of the Orphan M. tuberculosis P450 CYP144A1.BDB Biochemistry 56: 1559-1572 (2017) University of Cambridge 2D 3D TSV
28166391 18 Lactosamine-Based Derivatives as Tools to Delineate the Biological Functions of Galectins: Application to Skin Tissue Repair.BDB Chembiochem 18: 782-789 (2017) Université de Nantes 2D 3D TSV
28165218 5 Perfluoro-tert-butyl Homoserine Is a Helix-Promoting, Highly Fluorinated, NMR-Sensitive Aliphatic Amino Acid: Detection of the Estrogen Receptor·Coactivator Protein-Protein Interaction by (19)F NMR.BDB Biochemistry 56: 1062-1074 (2017) University of Delaware 2D 3D TSV
28163017 12 Small-Molecule Inhibitors of the SOX18 Transcription Factor.BDB Cell Chem Biol 24: 346-359 (2017) The University of Queensland 2D 3D TSV
28160945 12 In search of new a-glucosidase inhibitors: Imidazolylpyrazole derivatives.BDB Bioorg Chem 71: 102-109 (2017) University of the Punjab; Kinnaird College for Women 2D 3D TSV
28160944 6 Dihydropyrimidinone-isatin hybrids as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.BDB Bioorg Chem 70: 256-266 (2017) Jaipur National University 2D 3D TSV
28160943 20 Synthesis and in silico studies of novel sulfonamides having oxadiazole ring: As ß-glucuronidase inhibitors.BDB Bioorg Chem 71: 86-96 (2017) Universiti Teknologi MARA (UiTM) 2D 3D TSV
28157283 7 Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.BDB Biochemistry 56: 1130-1139 (2017) Johns Hopkins University 2D 3D TSV
28143657 22 Substituted furans as potent lipoxygenase inhibitors: Synthesis, in vitro and molecular docking studies.BDB Bioorg Chem 71: 97-101 (2017) CSIR - Indian Institute of Chemical Biology 2D 3D TSV
28139246 22 Facile dimethyl amino group triggered cyclic sulfonamides synthesis and evaluation as alkaline phosphatase inhibitors.BDB Bioorg Chem 71: 10-18 (2017) University of Karachi 2D 3D TSV
28135237 12 The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.BDB Nat Chem Biol 13: 389-395 (2017) AbbVie Inc. 2D 3D TSV
28135235 71 An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of EED.BDB Nat Chem Biol 13: 381-388 (2017) Novartis Institutes for BioMedical Research 2D 3D TSV
28135068 9 Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.BDB ACS Chem Biol 12: 825-832 (2017) Exonate Ltd 2D 3D TSV
28134508 18 Synthetic Triterpenoid Inhibition of Human Ghrelin O-Acyltransferase: The Involvement of a Functionally Required Cysteine Provides Mechanistic Insight into Ghrelin Acylation.BDB Biochemistry 56: 919-931 (2017) Syracuse University 2D 3D TSV
28129991 2 Identification of allosteric binding sites for PI3Ka oncogenic mutant specific inhibitor design.EBI Bioorg Med Chem 25: 1481-1486 (2017) Johns Hopkins University School of Medicine 2D 3D TSV
28126440 58 Activation of anti-oxidant Nrf2 signaling by substituted trans stilbenes.EBI Bioorg Med Chem 25: 1423-1430 (2017) University of New Mexico 2D 3D TSV
28126439 27 Design, synthesis and evaluation of some N-methylenebenzenamine derivatives as selective acetylcholinesterase (AChE) inhibitor and antioxidant to enhance learning and memory.EBI Bioorg Med Chem 25: 1471-1480 (2017) Indian Institute of Technology (Banaras Hindu University) 2D 3D TSV
28126289 11 Synthesis, biological evaluation and in silico studies of 5-(3-methoxybenzylidene)thiazolidine-2,4-dione analogues as PTP1B inhibitors.BDB Bioorg Chem 71: 1-9 (2017) Panjab University 2D 3D TSV
28126287 50 Synthesis, biological evaluation and docking studies of 2,3-dihydroquinazolin-4(1H)-one derivatives as inhibitors of cholinesterases.BDB Bioorg Chem 70: 237-244 (2017) University of Sargodha 2D 3D TSV
28118956 150 Design and synthesis of potent substrate-based inhibitors of the Trypanosoma cruzi dihydroorotate dehydrogenase.EBI Bioorg Med Chem 25: 1465-1470 (2017) Nagasaki University 2D 3D TSV
28117121 9 Design, synthesis, molecular modeling and anti-hyperglycemic evaluation of novel quinoxaline derivatives as potential PPAR¿ and SUR agonists.EBI Bioorg Med Chem 25: 1496-1513 (2017) Al-Azhar University 2D 3D TSV
28114273 8 The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.BDB Nat Chem Biol 13: 317-324 (2017) AbbVie 2D 3D TSV
28111158 100 Synthesis of isoxazole-containing sulfonamides with potent carbonic anhydrase II and VII inhibitory properties.EBI Bioorg Med Chem 25: 1456-1464 (2017) Abant Izzet Baysal University 2D 3D TSV
28111099 4 Talaromyces marneffei Mp1p Is a Virulence Factor that Binds and Sequesters a Key Proinflammatory Lipid to Dampen Host Innate Immune Response.BDB Cell Chem Biol 24: 182-194 (2017) The University of Hong Kong 2D 3D TSV
28111097 2 An Unusual Protector-Protégé Strategy for the Biosynthesis of Purine Nucleoside Antibiotics.BDB Cell Chem Biol 24: 171-181 (2017) Wuhan University 2D 3D TSV
28110961 26 Synthesis, characterization and biological evaluation of novel chalcone sulfonamide hybrids as potent intestinal alkaline phosphatase inhibitors.BDB Bioorg Chem 70: 229-236 (2017) COMSATS Institute of Information Technology 2D 3D TSV
28105289 51 Development of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes] asa7 Nicotinic Receptor Agonists.EBI ACS Med Chem Lett 8: 133-137 (2017) Bristol-Myers Squibb Research and Development 2D 3D TSV
28105288 32 Discovery of Spirocyclic Aldosterone Synthase Inhibitors as Potential Treatments for Resistant Hypertension.EBI ACS Med Chem Lett 8: 128-132 (2017) Merck Research Laboratories 2D 3D TSV
28105287 19 Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules.EBI ACS Med Chem Lett 8: 124-127 (2017) Yale University 2D 3D TSV
28105286 65 Discovery of a Potent, Selective, and Orally Available PI3Kd Inhibitor for the Treatment of Inflammatory Diseases.EBI ACS Med Chem Lett 8: 118-123 (2017) Rhône-Poulenc Rorer 2D 3D TSV
28105285 1 Structural Basis for the Effective Myostatin Inhibition of the Mouse Myostatin Prodomain-Derived Minimum Peptide.EBI ACS Med Chem Lett 8: 113-117 (2017) Tokyo University of Pharmacy and Life Sciences 2D 3D TSV
28105284 55 Discovery of Novel Seven-Membered Prostacyclin Analogues as Potent and Selective Prostaglandin FP and EP3 Dual Agonists.EBI ACS Med Chem Lett 8: 107-112 (2017) Ono Pharmaceutical Co., Ltd. 2D 3D TSV
28105283 6 Rational Design of a Boron-Modified Triphenylethylene (GLL398) as an Oral Selective Estrogen Receptor Downregulator.EBI ACS Med Chem Lett 8: 102-106 (2017) Xavier University of Louisiana 2D 3D TSV
28105282 95 Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 withEBI ACS Med Chem Lett 8: 96-101 (2017) Merck& Co. 2D 3D TSV
28105280 39 GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an ImprovedEBI ACS Med Chem Lett 8: 84-89 (2017) Genentech, Inc. 2D 3D TSV
28105278 10 Hydrazone Linker as a Useful Tool for Preparing Chimeric Peptide/Nonpeptide Bifunctional Compounds.EBI ACS Med Chem Lett 8: 73-77 (2017) Mossakowski Medical Research Centre Polish Academy of Sciences 2D 3D TSV
28105277 33 Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.EBI ACS Med Chem Lett 8: 67-72 (2017) Bristol-Myers Squibb 2D 3D TSV
28105275 15 2-Hydroxypyridine-EBI ACS Med Chem Lett 8: 55-60 (2017) Univ. Grenoble-Alpes/CNRS 2D 3D TSV
28105274 108 Design, Synthesis, and Evaluation of Novel and Selective G-protein Coupled Receptor 120 (GPR120) Spirocyclic Agonists.EBI ACS Med Chem Lett 8: 49-54 (2017) Merck& Co. 2D 3D TSV
28105273 3 Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLAEBI ACS Med Chem Lett 8: 43-48 (2017) University of Strathclyde 2D 3D TSV
28105269 4 Electrophilic Helical Peptides That Bond Covalently, Irreversibly, and Selectively in a Protein-Protein Interaction Site.EBI ACS Med Chem Lett 8: 22-26 (2017) The University of Queensland 2D 3D TSV
28105268 10 Great Therapeutic Potential of Peptidylarginine Deiminase 4 (PAD4) Inhibitors: Treatment of Rheumatoid Arthritis, Epigenetic Tools, Regulation of Pluripotency in Stem Cells, and More.EBI ACS Med Chem Lett 8: 19-21 (2017) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
28105267 5 Potential Treatment of Cognitive Impairment in Schizophrenia by Phosphodiesterase 2 (PDE2) Inhibitors.EBI ACS Med Chem Lett 8: 17-18 (2017) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
28105265 6 Targeting the Inhibition of Tryptophan 2,3-Dioxygenase (TDO-2) for Cancer Treatment.EBI ACS Med Chem Lett 8: 11-13 (2017) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
28105264 6 Potential of Renal Outer Medullary Potassium (ROMK) Channel as Treatments for Hypertension and Heart Failure.EBI ACS Med Chem Lett 8: 9-10 (2017) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
28094913 2 Inhibition of Pax2 Transcription Activation with a Small Molecule that Targets the DNA Binding Domain.BDB ACS Chem Biol 12: 724-734 (2017) University of Michigan 2D 3D TSV
28094220 9 Molecular docking, discovery, synthesis, and pharmacological properties of new 6-substituted-2-(3-phenoxyphenyl)-4-phenyl quinoline derivatives; an approach to developing potent DNA gyrase inhibitors/antibacterial agents.EBI Bioorg Med Chem 25: 1448-1455 (2017) VIT University 2D 3D TSV
28089757 2 Disorazoles Block Group A Streptococcal Invasion into Epithelial Cells Via Interference with the Host Factor Ezrin.BDB Cell Chem Biol 24: 159-170 (2017) Saarland University; Helmholtz Centre for Infection Research (HZI); German Centre for Infection Research (DZIF) 2D 3D TSV
28089589 78 Synthesis, anticholinesterase activity and molecular modeling study of novel carbamate-substituted thymol/carvacrol derivatives.EBI Bioorg Med Chem 25: 1352-1363 (2017) Bezmialem Vakif University 2D 3D TSV
28089350 8 Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.EBI Bioorg Med Chem 25: 813-824 (2017) Northern Illinois University 2D 3D TSV
28087168 49 Synthesis, structure-activity relationships studies of benzoxazinone derivatives as a-chymotrypsin inhibitors.BDB Bioorg Chem 70: 210-221 (2017) University of Karachi 2D 3D TSV
28080034 3 Mechanism of Flavoprotein l-6-Hydroxynicotine Oxidase: pH and Solvent Isotope Effects and Identification of Key Active Site Residues.BDB Biochemistry 56: 869-875 (2017) University of Texas Health Science Center 2D 3D TSV
28069264 15 Synthesis, in vitro ß-glucuronidase inhibitory activity and in silico studies of novel (E)-4-Aryl-2-(2-(pyren-1-ylmethylene)hydrazinyl)thiazoles.BDB Bioorg Chem 70: 199-209 (2017) University of Karachi 2D 3D TSV
28065501 38 Synthesis, docking, cytotoxicity, and LTAEBI Bioorg Med Chem 25: 1277-1285 (2017) Mansoura University 2D 3D TSV
28065500 8 Activation of lysine-specific demethylase 1 inhibitor peptide by redox-controlled cleavage of a traceless linker.EBI Bioorg Med Chem 25: 1227-1234 (2017) Nagoya City University 2D 3D TSV
28065499 84 Benzenesulfonamide bearing imidazothiadiazole and thiazolotriazole scaffolds as potent tumor associated human carbonic anhydrase IX and XII inhibitors.EBI Bioorg Med Chem 25: 1286-1293 (2017) Kurukshetra University 2D 3D TSV
28063784 36 New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HTEBI Bioorg Med Chem 25: 1250-1259 (2017) Universit£ di Catania 2D 3D TSV
28062195 8 Development of new inhibitors for N-acylethanolamine-hydrolyzing acid amidase as promising tool against bladder cancer.EBI Bioorg Med Chem 25: 1242-1249 (2017) Italy; Universit£ Vita-Salute San Raffaele 2D 3D TSV
28057408 44 Dithiocarbamates effectively inhibit theß-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa.EBI Bioorg Med Chem 25: 1260-1265 (2017) Universit£ degli Studi di Firenze 2D 3D TSV
28057407 76 Bifunctional conjugates with potent inhibitory activity towards cyclooxygenase and histone deacetylase.EBI Bioorg Med Chem 25: 1202-1218 (2017) Georgia Institute of Technology 2D 3D TSV
28057325 50 Design, synthesis and biological screening of some novel celecoxib and etoricoxib analogs with promising COX-2 selectivity, anti-inflammatory activity and gastric safety profile.BDB Bioorg Chem 70: 173-183 (2017) Fayoum University 2D 3D TSV
28056160 3 Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library.BDB Chembiochem 18: 864-871 (2017) X-Chem Pharmaceuticals 2D 3D TSV
28045490 7 An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.BDB ACS Chem Biol 12: 564-573 (2017) Universitätsklinikum Frankfurt 2D 3D TSV
28043778 3 Neuritogenic activity of bi-functional bis-tryptoline triazole.EBI Bioorg Med Chem 25: 1195-1201 (2017) Chiang Mai University 2D 3D TSV
28043720 9 Discovery of imidazopyridine derivatives as novel c-Met kinase inhibitors: Synthesis, SAR study, and biological activity.BDB Bioorg Chem 70: 126-132 (2017) China Pharmaceutical University 2D 3D TSV
28043719 30 Synthesis, characterization, anticancer, antimicrobial and carbonic anhydrase inhibition profiles of novel (3aR,4S,7R,7aS)-2-(4-((E)-3-(3-aryl)acryloyl) phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione derivatives.BDB Bioorg Chem 70: 118-125 (2017) Cumhuriyet University 2D 3D TSV
28043716 18 Synthesis, molecular docking studies of hybrid benzimidazole as a-glucosidase inhibitor.BDB Bioorg Chem 70: 184-191 (2017) Universiti Teknologi MARA (UiTM) 2D 3D TSV
28042046 12 Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity.BDB Cell Chem Biol 24: 55-65 (2017) Peking University 2D 3D TSV
28041801 1 A one-pot laccase-catalysed synthesis of coumestan derivatives and their anticancer activity.EBI Bioorg Med Chem 25: 1172-1182 (2017) CSIR Biosciences 2D 3D TSV
28035796 2 Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4ß-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin.BDB ACS Chem Biol 12: 746-752 (2017) Huazhong Agricultural University 2D 3D TSV
28032980 12 Ligand Discovery for a Peptide-Binding GPCR by Structure-Based Screening of Fragment- and Lead-Like Chemical Libraries.BDB ACS Chem Biol 12: 735-745 (2017) Stockholm University 2D 3D TSV
28032764 19 Discovery of Cell-Permeable O-GlcNAc Transferase Inhibitors via Tethering in Situ Click Chemistry.EBI J Med Chem 60: 263-272 (2017) University of Chinese Academy of Sciences 2D 3D TSV
28029458 50 Design and synthesis of novel N-sulfonyl-2-indoles that behave as 5-HTEBI Bioorg Med Chem 25: 38-52 (2017) Universit£ de Montr£al 2D 3D TSV
28026167 22 Heat Capacity Changes for Transition-State Analogue Binding and Catalysis with Human 5'-Methylthioadenosine Phosphorylase.BDB ACS Chem Biol 12: 464-473 (2017) Albert Einstein College of Medicine 2D 3D TSV
28026162 41 hBfl-1/hNOXA Interaction Studies Provide New Insights on the Role of Bfl-1 in Cancer Cell Resistance and for the Design of Novel Anticancer Agents.BDB ACS Chem Biol 12: 444-455 (2017) University of California, Riverside 2D 3D TSV
28024887 52 5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.EBI Bioorg Med Chem 25: 857-863 (2017) Riga Technical University 2D 3D TSV
28017602 2 A Common Platform for Antibiotic Dereplication and Adjuvant Discovery.BDB Cell Chem Biol 24: 98-109 (2017) McMaster University 2D 3D TSV
28011206 36 Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease.EBI Bioorg Med Chem 25: 1030-1041 (2017) Sichuan University 2D 3D TSV
28011205 3 Macrocyclic MEK1/2 inhibitor with efficacy in a mouse model of cardiomyopathy caused by lamin A/C gene mutation.EBI Bioorg Med Chem 25: 1004-1013 (2017) Columbia University 2D 3D TSV
28011204 65 Structure-guided development of covalent TAK1 inhibitors.EBI Bioorg Med Chem 25: 838-846 (2017) Harvard Medical School 2D 3D TSV
28011202 21 Design, synthesis and biological evaluation of novel 4-(2-fluorophenoxy)quinoline derivatives as selective c-Met inhibitors.EBI Bioorg Med Chem 25: 886-896 (2017) Shenyang Pharmaceutical University 2D 3D TSV
28004946 7 Fluorescent Inhibitors as Tools To Characterize Enzymes: Case Study of the Lipid Kinase Phosphatidylinositol 4-Kinase IIIß (PI4KB).EBI J Med Chem 60: 119-127 (2017) Academy of Sciences of the Czech Republic 2D 3D TSV
28004945 52 Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase IIIß (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology.EBI J Med Chem 60: 100-118 (2017) Academy of Sciences of the Czech Republic 2D 3D TSV

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