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| PMID | Data | Article Title | Citation | Organization | SD Files Download |
|---|---|---|---|---|---|
| 28892605 | 20 | Inhibitors of the Diadenosine Tetraphosphate Phosphorylase Rv2613c of Mycobacterium tuberculosis. |
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. |
ACS Chem Biol 12: 2619-2630 (2017) | Oxford University | 2D 3D TSV |
| 28841282 | 2 | Synthetic Lethality Triggered by Combining Olaparib with BRCA2-Rad51 Disruptors. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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 inhibitors |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 25: 166-174 (2017) | Soochow University | 2D 3D TSV |
| 28340913 | 4 | Synthesis, activity and docking studies of phenylpyrimidine-carboxamide Sorafenib derivatives. |
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. |
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. |
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. |
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. |
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. |
ACS Med Chem Lett 8: 281-286 (2017) | Wayne State University | 2D 3D TSV |
| 28337316 | 16 | Bicyclic Ketone Sulfonamide Compounds. |
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. |
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. |
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. |
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. |
ACS Chem Biol 12: 1397-1415 (2017) | Philipps-Universität Marburg | 2D 3D TSV |
| 28280261 | 84 | Non-kinase targets of protein kinase inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Chem 71: 244-256 (2017) | Charles University | 2D 3D TSV |
| 28244987 | 10 | Capzimin is a potent and specific inhibitor of proteasome isopeptidase Rpn11. |
Nat Chem Biol 13: 486-493 (2017) | California Institute of Technology | 2D 3D TSV |
| 28238723 | 39 | Non-steroidal Anti-inflammatory Drugs Are Caspase Inhibitors. |
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. |
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. |
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. |
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. |
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. |
Bioorg Chem 71: 181-191 (2017) | Jamia Hamdard (Hamdard University) | 2D 3D TSV |
| 28197316 | 54 | Design and Synthesis of Novel, Selective GPR40 AgoPAMs. |
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. |
ACS Med Chem Lett 8: 215-220 (2017) | University of Michigan | 2D 3D TSV |
| 28197313 | 17 | From Dynamic Combinatorial Chemistry to |
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. |
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. |
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. |
Bioorg Chem 71: 160-169 (2017) | Hanoi University of Pharmacy | 2D 3D TSV |
| 28195704 | 47 | Highly Potent Cell-Permeable and Impermeable NanoLuc Luciferase Inhibitors. |
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. |
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. |
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. |
Chembiochem 18: 739-754 (2017) | Griffith University | 2D 3D TSV |
| 28169518 | 6 | Fragment Profiling Approach to Inhibitors of the Orphan M. tuberculosis P450 CYP144A1. |
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. |
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. |
Biochemistry 56: 1062-1074 (2017) | University of Delaware | 2D 3D TSV |
| 28163017 | 12 | Small-Molecule Inhibitors of the SOX18 Transcription Factor. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Biochemistry 56: 919-931 (2017) | Syracuse University | 2D 3D TSV |
| 28129991 | 2 | Identification of allosteric binding sites for PI3Ka oncogenic mutant specific inhibitor design. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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 with |
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 Improved |
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. |
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. |
ACS Med Chem Lett 8: 67-72 (2017) | Bristol-Myers Squibb | 2D 3D TSV |
| 28105275 | 15 | 2-Hydroxypyridine- |
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. |
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 LpPLA |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Chem 70: 199-209 (2017) | University of Karachi | 2D 3D TSV |
| 28065501 | 38 | Synthesis, docking, cytotoxicity, and LTA |
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. |
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. |
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-HT |
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. |
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. |
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. |
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. |
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. |
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. |
ACS Chem Biol 12: 564-573 (2017) | Universitätsklinikum Frankfurt | 2D 3D TSV |
| 28043778 | 3 | Neuritogenic activity of bi-functional bis-tryptoline triazole. |
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. |
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. |
Bioorg Chem 70: 118-125 (2017) | Cumhuriyet University | 2D 3D TSV |
| 28043716 | 18 | Synthesis, molecular docking studies of hybrid benzimidazole as a-glucosidase inhibitor. |
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. |
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. |
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. |
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. |
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. |
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-HT |
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. |
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. |
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. |
Bioorg Med Chem 25: 857-863 (2017) | Riga Technical University | 2D 3D TSV |
| 28017602 | 2 | A Common Platform for Antibiotic Dereplication and Adjuvant Discovery. |
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. |
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. |
Bioorg Med Chem 25: 1004-1013 (2017) | Columbia University | 2D 3D TSV |
| 28011204 | 65 | Structure-guided development of covalent TAK1 inhibitors. |
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. |
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). |
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. |
J Med Chem 60: 100-118 (2017) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
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