BindingDB logo
myBDB logout

Search by PubMed Identification


PubMed Identification:

Starting with   __   _1   _2   _3   _4   _5   _6   _7   _8   _9   10   11   12   13   14   15   16   17   18   19   20   21   22   23   24   25   26   27   28   29   30   31   32   33

PMIDDataArticle TitleCitationOrganizationData Download
31999455 5 Congenetic Hybrids Derived from Dearomatized Isoprenylated Acylphloroglucinol with Opposite Effects on CaEBI J Med Chem 63: 1709-1716 (2020) Chinese Academy of Sciences 2D 3D TSV
31999451 63 Bifunctional Naphthoquinone Aromatic Amide-Oxime Derivatives Exert Combined Immunotherapeutic and Antitumor Effects through Simultaneous Targeting of Indoleamine-2,3-dioxygenase and Signal Transducer and Activator of Transcription 3.EBI J Med Chem 63: 1544-1563 (2020) Guangxi Normal University 2D 3D TSV
31990540 25 Synthesis of Novel Potent Archazolids: Pharmacology of an Emerging Class of Anticancer Drugs.EBI J Med Chem 63: 1684-1698 (2020) Universit£t Bonn 2D 3D TSV
31990537 59 Identification of Reversible Small Molecule Inhibitors of Endothelial Lipase (EL) That Demonstrate HDL-C Increase In Vivo.EBI J Med Chem 63: 1660-1670 (2020) TBA 2D 3D TSV
31986036 89 Structure and Activity Studies of Disulfide-Deficient Analogues of ?O-Conotoxin GeXIVA.EBI J Med Chem 63: 1564-1575 (2020) Hainan University 2D 3D TSV
31986033 56 Aromatic-Amine Pendants Produce Highly Potent and Efficacious Mixed Efficacy ?-Opioid Receptor (MOR)/?-Opioid Receptor (DOR) Peptidomimetics with Enhanced Metabolic Stability.EBI J Med Chem 63: 1671-1683 (2020) University of Michigan 2D 3D TSV
31972093 84 1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors.EBI J Med Chem 63: 2470-2488 (2020) Sapienza University of Rome 2D 3D TSV
31972088 4 Benzenesulfonamide Derivatives as Calcium/Calmodulin-Dependent Protein Kinase Inhibitors and Antiviral Agents against Dengue and Zika Virus Infections.EBI J Med Chem 63: 1313-1327 (2020) National Taiwan Normal University 2D 3D TSV
31971801 39 ?-Helix-Mimicking Sulfono-?-AApeptide Inhibitors for p53-MDM2/MDMX Protein-Protein Interactions.EBI J Med Chem 63: 975-986 (2020) University of South Florida 2D 3D TSV
31971799 74 Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.EBI J Med Chem 63: 2489-2510 (2020) National Institute of Chemistry 2D 3D TSV
31971798 40 Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.EBI J Med Chem 63: 1612-1623 (2020) FORMA Therapeutics, Inc. 2D 3D TSV
31965799 14 Clobetasol Propionate Is a Heme-Mediated Selective Inhibitor of Human Cytochrome P450 3A5.EBI J Med Chem 63: 1415-1433 (2020) St. Jude Children's Research Hospital 2D 3D TSV
31961685 23 Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.EBI J Med Chem 63: 1642-1659 (2020) National Health Research Institutes 2D 3D TSV
31955578 37 Discovery of a Brain-Penetrant ATP-Competitive Inhibitor of the Mechanistic Target of Rapamycin (mTOR) for CNS Disorders.EBI J Med Chem 63: 1068-1083 (2020) Novartis Institutes for BioMedical Research 2D 3D TSV
31951130 107 Discovery and Structure-Activity Relationships of Nociceptin Receptor Partial Agonists That Afford Symptom Ablation in Parkinson's Disease Models.EBI J Med Chem 63: 2688-2704 (2020) Astraea Therapeutics 2D 3D TSV
31944697 42 Discovery of Potent, Selective, and Direct Acid Sphingomyelinase Inhibitors with Antidepressant Activity.EBI J Med Chem 63: 961-974 (2020) China Pharmaceutical University 2D 3D TSV
31940200 62 Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis.EBI J Med Chem 63: 3868-3880 (2020) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
31938464 93 Class I/IIb-Selective HDAC Inhibitor Exhibits Oral Bioavailability and Therapeutic Efficacy in Acute Myeloid Leukemia.EBI ACS Med Chem Lett 11: 56-64 (2020) University of Toronto Mississauga 2D 3D TSV
31938461 20 Nicotinamide Phosphoribosyltransferase (NAMPT) Is a New Target of Antitumor Agent Chidamide.EBI ACS Med Chem Lett 11: 40-44 (2020) Second Military Medical University 2D 3D TSV
31938460 87 Epimers Switch Galectin-9 Domain Selectivity: 3EBI ACS Med Chem Lett 11: 34-39 (2020) Lund University 2D 3D TSV
31938459 18 Discovery of VU6015929: A Selective Discoidin Domain Receptor 1/2 (DDR1/2) Inhibitor to Explore the Role of DDR1 in Antifibrotic Therapy.EBI ACS Med Chem Lett 11: 29-33 (2020) Vanderbilt University 2D 3D TSV
31938457 40 Fluorescence Labeling of Neurotensin(8-13) via Arginine Residues Gives Molecular Tools with High Receptor Affinity.EBI ACS Med Chem Lett 11: 16-22 (2020) University of Regensburg 2D 3D TSV
31938453 10 Novel Pyrazolyl-dihydroisoquinolines as Positive Allosteric Modulator of the Dopamine D1 Receptor.EBI ACS Med Chem Lett 11: (2020) Arrival Discovery LLC 2D 3D TSV
31938452 18 Novel Methyl-aza-quinazolines as Inhibitors of the RAS-SOS Interaction.EBI ACS Med Chem Lett 11: 2-3 (2020) Arrival Discovery LLC 2D 3D TSV
31935327 17 Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.EBI J Med Chem 63: 1298-1312 (2020) Shandong University 2D 3D TSV
31935086 19 Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90 (Hsp90) and Cell Division Cycle 37 as Orally Active Inhibitors for the Treatment of Colorectal Cancer.EBI J Med Chem 63: 1281-1297 (2020) China Pharmaceutical University 2D 3D TSV
31935084 55 Structure-Based Design of a Potent and Selective Covalent Inhibitor for SRC Kinase That Targets a P-Loop Cysteine.EBI J Med Chem 63: 1624-1641 (2020) Harvard Medical School 2D 3D TSV
31934767 42 Novel Class of Colony-Stimulating Factor 1 Receptor Kinase Inhibitors Based on an EBI J Med Chem 63: 1397-1414 (2020) Chinese Academy of Sciences 2D 3D TSV
31933369 18 1-(2'-Bromobenzyl)-6,7-dihydroxy-EBI J Nat Prod 83: 127-133 (2020) Universidad de Santiago de Compostela 2D 3D TSV
31930920 69 The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease.EBI J Med Chem 63: 5031-5073 (2020) Terns Pharmaceuticals 2D 3D TSV
31928006 15 A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.EBI J Med Chem 63: 987-1001 (2020) Dalian University of Technology 2D 3D TSV
31922756 106 Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery.EBI J Med Chem 63: 1156-1177 (2020) University of Copenhagen 2D 3D TSV
31918952 65 Impact of the structure-activity relationship of AHL analogues on quorum sensing in Gram-negative bacteria.EBI Bioorg Med Chem 28: (2020) Larkin University 2D 3D TSV
31917923 91 Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.EBI J Med Chem 63: 1361-1387 (2020) University of Ljubljana 2D 3D TSV
31913038 13 Preventing Morphine-Seeking Behavior through the Re-Engineering of Vincamine's Biological Activity.EBI J Med Chem 63: 5119-5138 (2020) University of Florida 2D 3D TSV
31913033 12 Fragment-to-Lead Medicinal Chemistry Publications in 2018.EBI J Med Chem 63: 4430-4444 (2020) Frontier Medicines 2D 3D TSV
31913032 86 Plasmepsin Inhibitors in Antimalarial Drug Discovery: Medicinal Chemistry and Target Validation (2000 to Present).EBI J Med Chem 63: 4445-4467 (2020) University of Zambia 2D 3D TSV
31910018 2 Development of Novel EBI J Med Chem 63: 1051-1067 (2020) East China University of Science and Technology 2D 3D TSV
31910017 43 Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.EBI J Med Chem 63: 1337-1360 (2020) Chinese Academy of Sciences 2D 3D TSV
31910011 120 Potent Thiophene Antagonists of Human Complement C3a Receptor with Anti-Inflammatory Activity.EBI J Med Chem 63: 529-541 (2020) TBA 2D 3D TSV
31910010 134 Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.EBI J Med Chem 63: 621-637 (2020) A*STAR 2D 3D TSV
31904960 8 Synthesis and Structure-Activity Relationship Studies of C2-Modified Analogs of the Antimycobacterial Natural Product Pyridomycin.EBI J Med Chem 63: 1105-1131 (2020) ETH Zurich 2D 3D TSV
31904959 45 Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.EBI J Med Chem 63: 714-746 (2020) GSK 2D 3D TSV
31895575 37 Synthesis and Biological Evaluation of B-Cell Lymphoma 6 Inhibitors of EBI J Med Chem 63: 676-695 (2020) East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine 2D 3D TSV
31895569 5 Discovery of Potent and Selective Epidermal Growth Factor Receptor (EGFR) Bifunctional Small-Molecule Degraders.EBI J Med Chem 63: 1216-1232 (2020) Icahn School of Medicine at Mount Sinai 2D 3D TSV
31895563 29 Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity.EBI J Med Chem 63: 1178-1198 (2020) Virginia Tech 2D 3D TSV
31895562 76 Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-EBI J Med Chem 63: 1084-1104 (2020) Takeda Pharmaceutical Company, Ltd. 2D 3D TSV
31894985 6 Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs.EBI J Med Chem 63: 1002-1031 (2020) University of Southampton 2D 3D TSV
31891265 10 Isolation of a High-Affinity Cannabinoid for the Human CB1 Receptor from a Medicinal EBI J Nat Prod 83: 88-98 (2020) University of Modena and Reggio Emilia 2D 3D TSV
31880942 1 Scaffold Hopping of Natural Product Evodiamine: Discovery of a Novel Antitumor Scaffold with Excellent Potency against Colon Cancer.EBI J Med Chem 63: 696-713 (2020) Second Military Medical University 2D 3D TSV
31879183 15 Recent advances in the discovery and development of glyoxalase I inhibitors.EBI Bioorg Med Chem 28: (2020) Chengdu University 2D 3D TSV
31860309 58 Structure-Activity Relationship in Pyrazolo[4,3-EBI J Med Chem 63: 847-879 (2020) Technische Universit£t M£nchen 2D 3D TSV
31860303 8 Phloroglucinol Benzophenones and Xanthones from the Leaves of EBI J Nat Prod 83: 164-168 (2020) University of Wollongong 2D 3D TSV
31860301 24 Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.EBI J Med Chem 63: 1528-1543 (2020) Sosei Heptares 2D 3D TSV
31860298 3 Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.EBI J Med Chem 63: 827-846 (2020) University of Tennessee Health Science Center 2D 3D TSV
31859507 212 Discovery of BAY-985, a Highly Selective TBK1/IKK? Inhibitor.EBI J Med Chem 63: 601-612 (2020) Bayer AG 2D 3D TSV
31858797 22 Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.EBI J Med Chem 63: 656-675 (2020) Frederick National Laboratory for Cancer Research 2D 3D TSV
31857846 29 Pharmacokinetics-Driven Optimization of 7-Methylimidazo[1,5-EBI ACS Med Chem Lett 10: 1680-1685 (2019) China Pharmaceutical University 2D 3D TSV
31857844 1 Discovery of Novel Neuraminidase Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay.EBI ACS Med Chem Lett 10: 1667-1673 (2019) Shanghai Institute of Technology 2D 3D TSV
31857843 14 Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.EBI ACS Med Chem Lett 10: 1661-1666 (2019) Goethe-University Frankfurt 2D 3D TSV
31857842 12 New Potent DOT1L Inhibitors for EBI ACS Med Chem Lett 10: 1655-1660 (2019) Novartis Institutes for Biomedical Research 2D 3D TSV
31857841 24 Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.EBI ACS Med Chem Lett 10: 1648-1654 (2019) University of Minnesota 2D 3D TSV
31857840 92 Discovery of Axelopran (TD-1211): A Peripherally Restricted ?-Opioid Receptor Antagonist.EBI ACS Med Chem Lett 10: 1641-1647 (2019) Theravance Biopharma US, Inc. 2D 3D TSV
31857839 28 Tetrazole as a Replacement of the Electrophilic Group in Characteristic Prolyl Oligopeptidase Inhibitors.EBI ACS Med Chem Lett 10: 1635-1640 (2019) University of Helsinki 2D 3D TSV
31857838 68 Structure-Based Design of Selective, Covalent G Protein-Coupled Receptor Kinase 5 Inhibitors.EBI ACS Med Chem Lett 10: 1628-1634 (2019) University of Michigan 2D 3D TSV
31857835 3 In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.EBI ACS Med Chem Lett 10: 1609-1613 (2019) Xiamen University 2D 3D TSV
31857832 51 Modulation of Tropomyosin Receptor Kinase for the Treatment of Neurotrophin Diseases: Alzheimer's, Huntington's and Parkinson's.EBI ACS Med Chem Lett 10: 1590-1591 (2019) Usona Institute 2D 3D TSV
31855793 72 Identification of new potent AEBI Eur J Med Chem 187: (2020) Nankai University 2D 3D TSV
31855601 73 Synthesis and in Vitro and in Vivo Biological Evaluation of Tissue-Specific Bisthiazole Histone Deacetylase (HDAC) Inhibitors.EBI J Med Chem 63: 804-815 (2020) Chinese Academy of Sciences 2D 3D TSV
31855426 98 Discovery and Characterization of 1EBI J Med Chem 63: 569-590 (2020) East China Normal University 2D 3D TSV
31855425 224 Optimization of Orally Bioavailable PI3K? Inhibitors and Identification of Vps34 as a Key Selectivity Target.EBI J Med Chem 63: 638-655 (2020) GlaxoSmithKline 2D 3D TSV
31855419 63 Binding Loop Substitutions in the Cyclic Peptide SFTI-1 Generate Potent and Selective Chymase Inhibitors.EBI J Med Chem 63: 816-826 (2020) The University of Queensland 2D 3D TSV
31851518 61 The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-EBI J Med Chem 63: 3461-3471 (2020) AstraZeneca 2D 3D TSV
31850759 24 Engineering a Potent, Long-Acting, and Periphery-Restricted Oxytocin Receptor Agonist with Anorexigenic and Body Weight Reducing Effects.EBI J Med Chem 63: 382-390 (2020) Calibr at The Scripps Research Institute 2D 3D TSV
31846829 32 Discovery of 4,6-pyrimidinediamine derivatives as novel dual EGFR/FGFR inhibitors aimed EGFR/FGFR1-positive NSCLC.EBI Eur J Med Chem 187: (2020) Wenzhou Medical University 2D 3D TSV
31846577 34 Selectivity and Physicochemical Optimization of Repurposed Pyrazolo[1,5-EBI J Med Chem 63: 756-783 (2020) Northeastern University 2D 3D TSV
31846328 8 Docking Finds GPCR Ligands in Dark Chemical Matter.EBI J Med Chem 63: 613-620 (2020) Uppsala University 2D 3D TSV
31846325 46 Discovery of Novel Dual Poly(ADP-ribose)polymerase and Phosphoinositide 3-Kinase Inhibitors as a Promising Strategy for Cancer Therapy.EBI J Med Chem 63: 122-139 (2020) TBA 2D 3D TSV
31845801 78 Incorporation of Agouti-Related Protein (AgRP) Human Single Nucleotide Polymorphisms (SNPs) in the AgRP-Derived Macrocyclic Scaffold c[Pro-Arg-Phe-Phe-Asn-Ala-Phe-dPro] Decreases Melanocortin-4 Receptor Antagonist Potency and Results in the Discovery of Melanocortin-5 Receptor Antagonists.EBI J Med Chem 63: 2194-2208 (2020) University of Minnesota 2D 3D TSV
31843464 5 Small molecules targeting HIF-1? pathway for cancer therapy in recent years.EBI Bioorg Med Chem 28: (2020) Shandong University 2D 3D TSV
31841727 4 Prodrugs for nitroreductase-based cancer therapy-3: Antitumor activity of the novel dinitroaniline prodrugs/Ssap-NtrB enzyme suicide gene system: Synthesis, in vitro and in silico evaluation in prostate cancer.EBI Eur J Med Chem 187: (2020) Balikesir University 2D 3D TSV
31841637 112 Structure-Activity Relationships of Novel Thiazole-Based Modafinil Analogues Acting at Monoamine Transporters.EBI J Med Chem 63: 391-417 (2020) University of Vienna 2D 3D TSV
31841625 11 Heterotrimeric G Proteins as Therapeutic Targets in Drug Discovery.EBI J Med Chem 63: 5013-5030 (2020) Sun Yat-sen University 2D 3D TSV
31841350 70 Discovery of Selective Inhibitors of Endoplasmic Reticulum Aminopeptidase 1.EBI J Med Chem 63: 103-121 (2020) Kansas University Specialized Chemistry Center 2D 3D TSV
31841335 16 Discovery of EBI J Med Chem 63: 425-432 (2020) Christian-Albrechts-University Kiel 2D 3D TSV
31838846 8 Selective Blockade of Neuronal BK (? + ?4) Channels Preventing Epileptic Seizure.EBI J Med Chem 63: 216-230 (2020) Chinese Academy of Sciences 2D 3D TSV
31835169 68 Discovery of novel 1,2,3-triazole oseltamivir derivatives as potent influenza neuraminidase inhibitors targeting the 430-cavity.EBI Eur J Med Chem 187: (2020) Shandong University 2D 3D TSV
31834798 33 Potent, Efficacious, and Stable Cyclic Opioid Peptides with Long Lasting Antinociceptive Effect after Peripheral Administration.EBI J Med Chem 63: 2673-2687 (2020) Universit£ di Chieti-Pescara "G. d'Annunzio" 2D 3D TSV
31834797 31 Investigation of the Adrenergic and Opioid Binding Affinities, Metabolic Stability, Plasma Protein Binding Properties, and Functional Effects of Selected Indole-Based Kratom Alkaloids.EBI J Med Chem 63: 433-439 (2020) University of Florida 2D 3D TSV
31833761 32 Potent, Orally Bioavailable, and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.EBI J Med Chem 63: 784-803 (2020) Bristol-Myers Squibb Company 2D 3D TSV
31830634 126 Synthesis and structure-activity relationship studies of ?-naphthoflavone derivatives as CYP1B1 inhibitors.EBI Eur J Med Chem 187: (2020) Shanghai Jiao Tong University 2D 3D TSV
31825616 25 Benzothiazole-Based LRRK2 Inhibitors as Wnt Enhancers and Promoters of Oligodendrocytic Fate.EBI J Med Chem 63: 2638-2655 (2020) CSIC 2D 3D TSV
31821760 53 Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor ?t (ROR?t) Inverse Agonists.EBI J Med Chem 63: 241-259 (2020) Technische Universiteit Eindhoven 2D 3D TSV
31820985 101 Design, Synthesis, and Biological Evaluation of Amidobenzimidazole Derivatives as Stimulator of Interferon Genes (STING) Receptor Agonists.EBI J Med Chem 63: 260-282 (2020) Peking Union Medical College and Chinese Academy of Medical Sciences 2D 3D TSV
31820982 34 Kinetic Target-Guided Synthesis: Reaching the Age of Maturity.EBI J Med Chem 63: 3817-3833 (2020) Univ. Lille 2D 3D TSV
31820981 62 Discovery of a Covalent Inhibitor of KRASEBI J Med Chem 63: 52-65 (2020) TBA 2D 3D TSV
31820978 38 Targeting Stimulator of Interferon Genes (STING): A Medicinal Chemistry Perspective.EBI J Med Chem 63: 3785-3816 (2020) China Pharmaceutical University 2D 3D TSV
31820975 19 Development of Novel Oxotriazinoindole Inhibitors of Aldose Reductase: Isosteric Sulfur/Oxygen Replacement in the Thioxotriazinoindole Cemtirestat Markedly Improved Inhibition Selectivity.EBI J Med Chem 63: 369-381 (2020) Comenius University in Bratislava 2D 3D TSV
31815462 15 Synthesis and Pharmacological Characterization of Conformationally Restricted Retigabine Analogues as Novel Neuronal Kv7 Channel Activators.EBI J Med Chem 63: 163-185 (2020) University Federico II of Naples 2D 3D TSV
31812794 16 1-Benzylpyrrolidine-3-amine-based BuChE inhibitors with anti-aggregating, antioxidant and metal-chelating properties as multifunctional agents against Alzheimer's disease.EBI Eur J Med Chem 187: (2020) Jagiellonian University Medical College 2D 3D TSV
31812034 17 Synthesis and discovery of triazolo-pyridazine-6-yl-substituted piperazines as effective anti-diabetic drugs; evaluated over dipeptidyl peptidase-4 inhibition mechanism and insulinotropic activities.EBI Eur J Med Chem 187: (2020) Government Arts College 2D 3D TSV
31812033 42 Synthesis of certain benzothieno[3,2-d]pyrimidine derivatives as a selective SIRT2 inhibitors.EBI Eur J Med Chem 187: (2020) Cairo University 2D 3D TSV
31809045 2 Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.EBI J Med Chem 63: 349-368 (2020) Instituto de Qu£mica M£dica (IQM-CSIC) 2D 3D TSV
31809044 38 Synthesis and PTP Inhibitory Activity of Illudalic Acid and Its Methyl Ether, with Insights into Selectivity for LAR PTP over Other Tyrosine Phosphatases under Physiologically Relevant Conditions.EBI J Nat Prod 82: 3386-3393 (2019) University of Utah 2D 3D TSV
31804829 21 Optimization of LpxC Inhibitor Lead Compounds Focusing on Efficacy and Formulation for High Dose Intravenous Administration.EBI J Med Chem 63: 88-102 (2020) Idorsia Pharmaceuticals Ltd. 2D 3D TSV
31804823 10 Peptide-?-lactam Inhibitors of Dengue and West Nile Virus NS2B-NS3 Protease Display Two Distinct Binding Modes.EBI J Med Chem 63: 140-156 (2020) Heidelberg University 2D 3D TSV
31804822 4 Design, Synthesis, and Biological Evaluation of MEK PROTACs.EBI J Med Chem 63: 157-162 (2020) Pharmaron Beijing Company 2D 3D TSV
31804076 1 Synthesis and Characterization of an A6-A11 Methylene Thioacetal Human Insulin Analogue with Enhanced Stability.EBI J Med Chem 62: 11437-11443 (2019) University of Utah 2D 3D TSV
31804070 1 Glucoconjugated Monoterpene Indole Alkaloids from EBI J Nat Prod 82: 3288-3301 (2019) Peking University Health Science Center 2D 3D TSV
31801019 5 Novel Cell-Penetrating Peptide Conjugated Proteasome Inhibitors: Anticancer and Antifungal Investigations.EBI J Med Chem 63: 334-348 (2020) University of Auckland 2D 3D TSV
31800244 18 A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands.EBI J Med Chem 63: 231-240 (2020) Max Planck Institute of Psychiatry 2D 3D TSV
31799843 11 Polypropionate Derivatives with EBI J Nat Prod 82: 3440-3449 (2019) Guangdong Institute of Microbiology 2D 3D TSV
31794211 138 "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.EBI J Med Chem 63: 321-333 (2020) University of Florence 2D 3D TSV
31793776 7 Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.EBI J Med Chem 63: 295-308 (2020) University of Pennsylvania 2D 3D TSV
31789520 48 Uncarialins A-I, Monoterpenoid Indole Alkaloids from EBI J Nat Prod 82: 3302-3310 (2019) Dalian Medical University 2D 3D TSV
31789518 11 Urea Derivatives in Modern Drug Discovery and Medicinal Chemistry.EBI J Med Chem 63: 2751-2788 (2020) Purdue University 2D 3D TSV
31789032 106 Discovery of Benzo[EBI J Med Chem 62: 11080-11107 (2019) China Pharmaceutical University 2D 3D TSV
31784318 13 Development and structure-activity relationship study of SHP2 inhibitor containing 3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene.EBI Bioorg Med Chem Lett 30: (2020) Chungnam University 2D 3D TSV
31782922 107 Application of Bivalent Bioisostere Concept on Design and Discovery of Potent Opioid Receptor Modulators.EBI J Med Chem 62: 11399-11415 (2019) Virginia Commonwealth University 2D 3D TSV
31774679 14 The Druggability of Solute Carriers.EBI J Med Chem 63: 3834-3867 (2020) The Scripps Research Institute 2D 3D TSV
31774676 140 Structure-Activity Relationships of Pentacyclic Triterpenoids as Inhibitors of Cyclooxygenase and Lipoxygenase Enzymes.EBI J Nat Prod 82: 3311-3320 (2019) Osaka University 2D 3D TSV
31769670 32 Proline-Based Allosteric Inhibitors of Zika and Dengue Virus NS2B/NS3 Proteases.EBI J Med Chem 62: 11359-11382 (2019) Johannes Gutenberg University Mainz 2D 3D TSV
31762274 122 Synthesis of Peptoid-Based Class I-Selective Histone Deacetylase Inhibitors with Chemosensitizing Properties.EBI J Med Chem 62: 11260-11279 (2019) Heinrich-Heine-Universit£t D£sseldorf 2D 3D TSV
31756109 108 Application of Fluorine- and Nitrogen-Walk Approaches: Defining the Structural and Functional Diversity of 2-Phenylindole Class of Cannabinoid 1 Receptor Positive Allosteric Modulators.EBI J Med Chem 63: 542-568 (2020) Northeastern University 2D 3D TSV
31755711 2 Discovery of Novel, Potent, Brain-Permeable, and Orally Efficacious Positive Allosteric Modulator of ?7 Nicotinic Acetylcholine Receptor [4-(5-(4-Chlorophenyl)-4-methyl-2-propionylthiophen-3-yl)benzenesulfonamide]: Structure-Activity Relationship and Preclinical Characterization.EBI J Med Chem 63: 944-960 (2020) Lupin Ltd. 2D 3D TSV
31751136 6 Effect of Modifier Structure on the Activation of Leukotriene AEBI J Med Chem 62: 10605-10616 (2019) George Mason University 2D 3D TSV
31749913 50 Discovery of a Potent and Selective TRPC5 Inhibitor, Efficacious in a Focal Segmental Glomerulosclerosis Model.EBI ACS Med Chem Lett 10: 1579-1585 (2019) Goldfinch Bio Inc. 2D 3D TSV
31749912 10 Synthesis and ?-Opioid Activity of the Primary Metabolites of Carfentanil.EBI ACS Med Chem Lett 10: 1568-1572 (2019) United States Army CCDC Chemical Biological Center 2D 3D TSV
31749911 68 Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.EBI ACS Med Chem Lett 10: 1561-1567 (2019) Nestl� Skin Health R&D 2D 3D TSV
31749910 26 INCB050465 (Parsaclisib), a Novel Next-Generation Inhibitor of Phosphoinositide 3-Kinase Delta (PI3K?).EBI ACS Med Chem Lett 10: 1554-1560 (2019) Incyte Corporation 2D 3D TSV
31749909 43 Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.EBI ACS Med Chem Lett 10: 1549-1553 (2019) Dana-Farber Cancer Institute 2D 3D TSV
31749908 25 Discovery of ABBV/GLPG-3221, a Potent Corrector of CFTR for the Treatment of Cystic Fibrosis.EBI ACS Med Chem Lett 10: 1543-1548 (2019) AbbVie, Inc. 2D 3D TSV
31749906 52 Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.EBI ACS Med Chem Lett 10: 1530-1536 (2019) Merck & Co., Inc. 2D 3D TSV
31749905 20 Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).EBI ACS Med Chem Lett 10: 1524-1529 (2019) Novartis Institute for Biomedical Research 2D 3D TSV
31749904 74 Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.EBI ACS Med Chem Lett 10: 1518-1523 (2019) GlaxoSmithKline 2D 3D TSV
31747516 13 Structure-Based Discovery of SD-36 as a Potent, Selective, and Efficacious PROTAC Degrader of STAT3 Protein.EBI J Med Chem 62: 11280-11300 (2019) TBA 2D 3D TSV
31747282 10 Discovery of Highly Polar ?-Homophenylalanine Derivatives as Nonsystemic Intestine-Targeted Dipeptidyl Peptidase IV Inhibitors.EBI J Med Chem 62: 10919-10925 (2019) University of Chinese Academy of Sciences 2D 3D TSV
31746603 34 Design and Synthesis of Basic Selective Estrogen Receptor Degraders for Endocrine Therapy Resistant Breast Cancer.EBI J Med Chem 62: 11301-11323 (2019) University of Illinois at Chicago 2D 3D TSV
31746599 78 Discovery and Characterization of the Potent and Selective P2X4 Inhibitor EBI J Med Chem 62: 11194-11217 (2019) Bayer AG 2D 3D TSV
31743642 198 4-Aryl-1-oxa-4,9-diazaspiro[5.5]undecane Derivatives as Dual ?-Opioid Receptor Agonists and ?EBI J Med Chem 63: 2434-2454 (2020) ESTEVE Pharmaceuticals SA 2D 3D TSV
31742400 125 Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5.EBI J Med Chem 62: 11035-11053 (2019) Leiden University 2D 3D TSV
31740053 1887 Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.EBI Eur J Med Chem 185: (2020) Vilnius University 2D 3D TSV
31738550 78 Discovery of a Highly Selective and Potent ? Opioid Receptor Agonist from EBI J Med Chem 62: 11054-11070 (2019) Fudan University 2D 3D TSV
31738537 95 Subtype Selective ?-Aminobutyric Acid Type A Receptor (GABAEBI J Med Chem 63: 3425-3446 (2020) University of Sussex 2D 3D TSV
31738062 22 Psiguadiols A-J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from EBI J Nat Prod 82: 3267-3278 (2019) China Pharmaceutical University 2D 3D TSV
31738058 154 Structure-Based Optimization of Coumarin hAEBI J Med Chem 63: 2577-2587 (2020) University of Porto 2D 3D TSV
31736307 30 Alkaloids from the Branches and Leaves of EBI J Nat Prod 82: 3221-3226 (2019) Nanjing University of Science and Technology 2D 3D TSV
31736296 52 Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an ?-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.EBI J Med Chem 62: 10258-10271 (2019) TBA 2D 3D TSV
31735576 3 Reasonably activating Nrf2: A long-term, effective and controllable strategy for neurodegenerative diseases.EBI Eur J Med Chem 185: (2020) China Pharmaceutical University 2D 3D TSV
31735575 9 Fragment hopping-based discovery of novel sulfinylacetamide-diarylpyrimidines (DAPYs) as HIV-1 nonnucleoside reverse transcriptase inhibitors.EBI Eur J Med Chem 185: (2020) Fudan University 2D 3D TSV
31734023 25 Preliminary SAR and biological evaluation of potent HIV-1 protease inhibitors with pyrimidine bases as novel P2 ligands to enhance activity against DRV-resistant HIV-1 variants.EBI Eur J Med Chem 185: (2020) Chinese Academy of Medical Science and Peking Union Medical College 2D 3D TSV
31734022 133 Virtual screening-driven discovery of dual 5-HTEBI Eur J Med Chem 185: (2020) Polish Academy of Sciences 2D 3D TSV
31732410 12 Hydroxyl substituted benzoic acid/cinnamic acid derivatives: Tyrosinase inhibitory kinetics, anti-melanogenic activity and molecular docking studies.EBI Bioorg Med Chem Lett 30: (2020) The University of Queensland (UQ) 2D 3D TSV
31732281 21 Identification of neomacrophorins isolated from Trichoderma sp. 1212-03 as proteasome inhibitors.EBI Bioorg Med Chem 27: (2019) Iwate University 2D 3D TSV
31732257 20 Discovery of covalent prolyl oligopeptidase boronic ester inhibitors.EBI Eur J Med Chem 185: (2020) McGill University 2D 3D TSV
31732254 1 Discovery of candesartan cilexetic as a novel neddylation inhibitor for suppressing tumor growth.EBI Eur J Med Chem 185: (2020) Shanghai University of Traditional Chinese Medicine 2D 3D TSV
31732253 20 Targeting CXCR1/2: The medicinal potential as cancer immunotherapy agents, antagonists research highlights and challenges ahead.EBI Eur J Med Chem 185: (2020) Hangzhou Institute of Innovative Medicine 2D 3D TSV
31732252 5 Synthesis, biological evaluation, and docking study of indole aryl sulfonamides as aromatase inhibitors.EBI Eur J Med Chem 185: (2020) "G. d'Annunzio" University 2D 3D TSV
31730343 6 Discovery of a First-in-Class Mitogen-Activated Protein Kinase Kinase 1/2 Degrader.EBI J Med Chem 62: 10897-10911 (2019) Icahn School of Medicine at Mount Sinai 2D 3D TSV
31729878 29 Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach ?.EBI J Med Chem 62: 10833-10847 (2019) Universit£ degli Studi di Parma 2D 3D TSV
31729873 43 Structure-Based and Property-Driven Optimization of EBI J Med Chem 62: 10816-10832 (2019) Global Discovery Chemistry 2D 3D TSV
31727472 30 Indole-based melatonin analogues: Synthetic approaches and biological activity.EBI Eur J Med Chem 185: (2020) Nantong University 2D 3D TSV
31727470 10 Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs).EBI Eur J Med Chem 185: (2020) University of Perugia 2D 3D TSV
31727451 8 Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.EBI Bioorg Med Chem 27: (2019) Monash University (Parkville Campus) 2D 3D TSV
31725297 280 Farnesyl Pyrophosphate Synthase as a Target for Drug Development: Discovery of Natural-Product-Derived Inhibitors and Their Activity in Pancreatic Cancer Cells.EBI J Med Chem 62: 10867-10896 (2019) Tsinghua University 2D 3D TSV
31725295 54 Kinetic Optimization of Lysine-Targeting Covalent Inhibitors of HSP72.EBI J Med Chem 62: 11383-11398 (2019) The Institute of Cancer Research 2D 3D TSV
31725285 170 Identification of Methionine Aminopeptidase-2 (MetAP-2) Inhibitor EBI J Med Chem 62: 11119-11134 (2019) Merck Healthcare 2D 3D TSV
31724864 148 Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.EBI J Med Chem 62: 11232-11259 (2019) Vanderbilt University 2D 3D TSV
31724863 29 Biphenyl Acid Derivatives as APJ Receptor Agonists.EBI J Med Chem 62: 10456-10465 (2019) Bristol-Myers Squibb 2D 3D TSV
31724859 23 New Dual Small Molecules for Alzheimer's Disease Therapy Combining Histamine HEBI J Med Chem 62: 11416-11422 (2019) Universit£ Bourgogne Franche-Comt£ 2D 3D TSV
31724854 30 Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for Nicotinamide EBI J Med Chem 62: 10783-10797 (2019) TBA 2D 3D TSV
31721581 153 An Agonist Radioligand for the Proinflammatory Lipid-Activated G Protein-Coupled Receptor GPR84 Providing Structural Insights.EBI J Med Chem 63: 2391-2410 (2020) University of Bonn 2D 3D TSV
31721578 44 Identification of a Multitargeted Tyrosine Kinase Inhibitor for the Treatment of Gastrointestinal Stromal Tumors and Acute Myeloid Leukemia.EBI J Med Chem 62: 11135-11150 (2019) National Health Research Institutes 2D 3D TSV
31721572 27 Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3EBI J Med Chem 63: 512-528 (2020) Sanofi 2D 3D TSV
31718943 127 Synthesis, biological and molecular dynamics investigations with a series of triazolopyrimidine/triazole-based benzenesulfonamides as novel carbonic anhydrase inhibitors.EBI Eur J Med Chem 185: (2020) Egyptian Russian University 2D 3D TSV
31718182 84 Discovery of an Oleanolic Acid/Hederagenin-Nitric Oxide Donor Hybrid as an EGFR Tyrosine Kinase Inhibitor for Non-Small-Cell Lung Cancer.EBI J Nat Prod 82: 3065-3073 (2019) Soochow University 2D 3D TSV
31715099 208 Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.EBI J Med Chem 62: 10676-10690 (2019) Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB 2D 3D TSV
31714780 14 Ligand-Based Design of Nondimethylphenyl-Diarylpyrimidines with Improved Metabolic Stability, Safety, and Oral Pharmacokinetic Profiles.EBI J Med Chem 62: 11430-11436 (2019) Fudan University 2D 3D TSV
31714779 37 Benzisothiazolinone Derivatives as Potent Allosteric Monoacylglycerol Lipase Inhibitors That Functionally Mimic Sulfenylation of Regulatory Cysteines.EBI J Med Chem 63: 1261-1280 (2020) Universit£ degli Studi di Parma 2D 3D TSV
31714776 30 Optimization Strategy of Novel Peptide-Based Michael Acceptors for the Treatment of Human African Trypanosomiasis.EBI J Med Chem 62: 10617-10629 (2019) University of Messina 2D 3D TSV
31711793 20 Design of novel monoamine oxidase-B inhibitors based on piperine scaffold: Structure-activity-toxicity, drug-likeness and efflux transport studies.EBI Eur J Med Chem 185: (2020) University of Porto 2D 3D TSV
31711785 25 Design, synthesis and evaluation of 2-amino-imidazol-4-one derivatives as potent ?-site amyloid precursor protein cleaving enzyme 1 (BACE-1) inhibitors.EBI Bioorg Med Chem Lett 29: (2019) Nanjing University of Chinese Medicine 2D 3D TSV
31711716 55 Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases.EBI Bioorg Med Chem 27: (2019) National Centre for Scientific Research "Demokritos" 2D 3D TSV
31710489 55 Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC).EBI J Med Chem 62: 11004-11018 (2019) AstraZeneca 2D 3D TSV
31710483 144 Novel Benzohydroxamate-Based Potent and Selective Histone Deacetylase 6 (HDAC6) Inhibitors Bearing a Pentaheterocyclic Scaffold: Design, Synthesis, and Biological Evaluation.EBI J Med Chem 62: 10711-10739 (2019) Preclinical R&D 2D 3D TSV
31710479 66 Discovery and Characterization of Potent Pan-Genotypic HCV NS5A Inhibitors Containing Novel Tricyclic Central Core Leading to Clinical Candidate.EBI J Med Chem 62: 10563-10582 (2019) Lupin Ltd. 2D 3D TSV
31710475 52 Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.EBI J Med Chem 62: 10740-10756 (2019) TBA 2D 3D TSV
31708262 11 Discovery of potent and selective butyrylcholinesterase inhibitors through the use of pharmacophore-based screening.EBI Bioorg Med Chem Lett 29: (2019) University of Kentucky 2D 3D TSV
31708184 4 Discovery of [1,2,4]-triazolo [1,5-a]pyrimidine-7(4H)-one derivatives as positive modulators of GABAEBI Eur J Med Chem 185: (2020) Qingdao University of Science and Technology 2D 3D TSV
31708183 3 Design, synthesis and biological evaluation of oseltamivir derivatives containing pyridyl group as potent inhibitors of neuraminidase for influenza A.EBI Eur J Med Chem 185: (2020) Wuyi University 2D 3D TSV
31706668 4 A new chemotype with promise against Trypanosoma cruzi.EBI Bioorg Med Chem Lett 30: (2020) University of Nebraska Medical Center 2D 3D TSV
31706640 5 Selective apoptosis-inducing activity of synthetic hydrocarbon-stapled SOS1 helix with d-amino acids in H358 cancer cells expressing KRASEBI Eur J Med Chem 185: (2020) China Pharmaceutical University 2D 3D TSV
31706639 16 Design, synthesis, and evaluation of compounds capable of reducing Pseudomonas aeruginosa virulence.EBI Eur J Med Chem 185: (2020) Texas Tech University Health Sciences Center 2D 3D TSV
31703817 2 Discovery of small-molecule candidates against inflammatory bowel disease.EBI Eur J Med Chem 185: (2020) Zhejiang University 2D 3D TSV
31702924 10 Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic.EBI J Med Chem 63: 418-424 (2020) Seoul National University 2D 3D TSV
31702922 55 Optimizing Targeted Inhibitors of P-Glycoprotein Using Computational and Structure-Guided Approaches.EBI J Med Chem 62: 10645-10663 (2019) TBA 2D 3D TSV
31702918 176 Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.EBI J Med Chem 62: 10757-10782 (2019) Johann Wolfgang Goethe-University 2D 3D TSV
31699612 15 Structure-based analysis and biological characterization of imatinib derivatives reveal insights towards the inhibition of wild-type BCR-ABL and its mutants.EBI Bioorg Med Chem Lett 29: (2019) Peking Union Medical College and Chinese Academy of Medical Sciences 2D 3D TSV
31699609 5 An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue.EBI Bioorg Med Chem Lett 30: (2020) Osaka Prefecture University 2D 3D TSV
31699607 9 Synthesis and antidepressant-like activity of novel alkoxy-piperidine derivatives targeting SSRI/5-HTEBI Bioorg Med Chem Lett 29: (2019) China Pharmaceutical University 2D 3D TSV
31699606 43 Novel benzimidazole phosphonates as potential inhibitors of protein prenylation.EBI Bioorg Med Chem Lett 29: (2019) University of Iowa 2D 3D TSV
31699536 19 Development of small molecule inhibitors targeting NLRP3 inflammasome pathway for inflammatory diseases.EBI Eur J Med Chem 185: (2020) Shandong University 2D 3D TSV
31693947 44 Direct and straightforward access to substituted alkyl selenols as novel carbonic anhydrase inhibitors.EBI Eur J Med Chem 185: (2020) University of Florence 2D 3D TSV
31693857 56 Development of Robust 17(EBI J Med Chem 62: 10124-10143 (2019) University of Texas Southwestern 2D 3D TSV
31693351 473 Discovery of 4EBI J Med Chem 62: 10691-10710 (2019) TBA 2D 3D TSV
31689116 42 A New Approach of Mitigating CYP3A4 Induction Led to the Discovery of Potent Hepatitis B Virus (HBV) Capsid Inhibitor with Optimal ADMET Profiles.EBI J Med Chem 62: 10352-10361 (2019) TBA 2D 3D TSV
31689114 22 Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.EBI J Med Chem 62: 10272-10293 (2019) Boehringer Ingelheim RCV GmbH & Co KG 2D 3D TSV
31687820 45 Discovery of Novel Small Molecule Dual Inhibitors Targeting Toll-Like Receptors EBI J Med Chem 62: 10221-10244 (2019) University of Colorado Boulder 2D 3D TSV
31685330 26 6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.EBI Bioorg Med Chem 27: (2019) National Science and Technology Development Agency 2D 3D TSV
31683104 22 Design, synthesis and 3D-QSAR analysis of novel thiopyranopyrimidine derivatives as potential antitumor agents inhibiting A549 and Hela cancer cells.EBI Eur J Med Chem 185: (2020) Jiangxi Science & Technology Normal University 2D 3D TSV
31683103 16 Nitrothiadiazolo[3,2-a]pyrimidines as promising antiglycating agents.EBI Eur J Med Chem 185: (2020) Ural Federal University Named After the First President of Russia B.N. Eltsin 2D 3D TSV
31682427 13 Advances in Discovering Deubiquitinating Enzyme (DUB) Inhibitors.EBI J Med Chem 63: 2731-2750 (2020) Dana-Farber Cancer Institute 2D 3D TSV
31679978 18 Discovery of amide-bridged pyrrolo[2,3-d]pyrimidines as tumor targeted classical antifolates with selective uptake by folate receptor ? and inhibition of de novo purine nucleotide biosynthesis.EBI Bioorg Med Chem 27: (2019) Duquesne University 2D 3D TSV
31679973 18 Design, synthesis and biological evaluation of novel desloratadine derivatives with anti-inflammatory and HEBI Bioorg Med Chem Lett 29: (2019) China Pharmaceutical University 2D 3D TSV
31679971 44 6-Substituted amiloride derivatives as inhibitors of the urokinase-type plasminogen activator for use in metastatic disease.EBI Bioorg Med Chem Lett 29: (2019) University of Wollongong 2D 3D TSV
31678007 68 Identification of a new small molecule chemotype of Melanin Concentrating Hormone Receptor-1 antagonists using pharmacophore-based virtual screening.EBI Bioorg Med Chem Lett 29: (2019) University of Science and Technology 2D 3D TSV
31678006 69 Discovery and optimization of a series of small-molecule allosteric inhibitors of MALT1 protease.EBI Bioorg Med Chem Lett 29: (2019) Janssen Research & Development, LLC 2D 3D TSV
31677447 44 Synthesis and biological evaluation of new MET inhibitors with 1,6-naphthyridinone scaffold.EBI Eur J Med Chem 185: (2020) Central China Normal University 2D 3D TSV
31676224 8 Discovery of a novel bicyclic compound, DS54360155, as an orally potent analgesic without mu-opioid receptor agonist activity.EBI Bioorg Med Chem Lett 29: (2019) Daiichi Sankyo Co., Ltd. 2D 3D TSV
31675512 3 Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological properties.EBI Eur J Med Chem 185: (2020) Universitat de Barcelona 2D 3D TSV
31675511 3 6-Methyluracil derivatives as peripheral site ligand-hydroxamic acid conjugates: Reactivation for paraoxon-inhibited acetylcholinesterase.EBI Eur J Med Chem 185: (2020) Kazan Scientific Center of the Russian Academy of Sciences 2D 3D TSV
31675229 45 Drug Design Targeting T-Cell Factor-Driven Epithelial-Mesenchymal Transition as a Therapeutic Strategy for Colorectal Cancer.EBI J Med Chem 62: 10182-10203 (2019) Colorado State University 2D 3D TSV
31675226 63 4-(3-Aminoazetidin-1-yl)pyrimidin-2-amines as High-Affinity Non-imidazole Histamine HEBI J Med Chem 62: 10848-10866 (2019) Vrije Universiteit Amsterdam 2D 3D TSV
31675224 62 Synthesis, Pharmacological Characterization, and Structure-Activity Relationships of Noncanonical Selective Agonists for ?7 nAChRs.EBI J Med Chem 62: 10376-10390 (2019) University of California-San Diego 2D 3D TSV
31674782 10 Flavipesines A and B and Asperchalasines E-H: Cytochalasans and Merocytochalasans from EBI J Nat Prod 82: 2994-3001 (2019) Huazhong University of Science and Technology 2D 3D TSV
31672259 13 The identification and pharmacological evaluation of potent, selective and orally available ACC1 inhibitor.EBI Bioorg Med Chem Lett 29: (2019) Takeda Pharmaceutical Company Limited 2D 3D TSV
31670954 9 The Immunoproteasome: An Emerging Target in Cancer and Autoimmune and Neurological Disorders.EBI J Med Chem 63: 1841-1858 (2020) Purdue University 2D 3D TSV
31670517 41 Discovery of Potent and Orally Effective Dual Janus Kinase 2/FLT3 Inhibitors for the Treatment of Acute Myelogenous Leukemia and Myeloproliferative Neoplasms.EBI J Med Chem 62: 10305-10320 (2019) West China Hospital of Sichuan University 2D 3D TSV
31670515 79 Discovery of BAY-298 and BAY-899: Tetrahydro-1,6-naphthyridine-Based, Potent, and Selective Antagonists of the Luteinizing Hormone Receptor Which Reduce Sex Hormone Levels in Vivo.EBI J Med Chem 62: 10321-10341 (2019) Bayer AG 2D 3D TSV
31670514 45 Could Dissecting the Molecular Framework of ?-Lactam Integrin Ligands Enhance Selectivity?EBI J Med Chem 62: 10156-10166 (2019) University of Bologna 2D 3D TSV
31670201 32 A novel chalcone derivative as Nrf2 activator attenuates learning and memory impairment in a scopolamine-induced mouse model.EBI Eur J Med Chem 185: (2020) Korea Institute of Science and Technology (KIST) 2D 3D TSV
31669851 38 Search for new multi-target compounds against Alzheimer's disease among histamine HEBI Eur J Med Chem 185: (2020) Jagiellonian University Medical College 2D 3D TSV
31668972 6 Discovery of arylamide-5-anilinoquinazoline-8-nitro derivatives as VEGFR-2 kinase inhibitors: Synthesis, in vitro biological evaluation and molecular docking.EBI Bioorg Med Chem Lett 29: (2019) Yunnan University 2D 3D TSV
31668424 17 An anthrone-based Kv7.2/7.3 channel blocker with improved properties for the investigation of psychiatric and neurodegenerative disorders.EBI Bioorg Med Chem Lett 29: (2019) Marquette University 2D 3D TSV
31668072 1 Glechomanamides A-C, Germacrane Sesquiterpenoids with an Unusual ?EBI J Nat Prod 82: 3056-3064 (2019) Seoul National University 2D 3D TSV
31668062 2 Sugar Kick Prevents Memory Impairment.EBI J Med Chem 62: 10059-10061 (2019) TBA 2D 3D TSV
31663737 54 Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.EBI J Med Chem 62: 10144-10155 (2019) University of Toronto 2D 3D TSV
31663736 15 Heat Shock Protein 90 Inhibitors: An Update on Achievements, Challenges, and Future Directions.EBI J Med Chem 63: 1798-1822 (2020) China Pharmaceutical University 2D 3D TSV
31663735 1 ?-Lactamase Inhibitors To Restore the Efficacy of Antibiotics against Superbugs.EBI J Med Chem 63: 1859-1881 (2020) Universidade de Santiago de Compostela 2D 3D TSV
31663733 36 Validation of Human Sterol 14?-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.EBI J Med Chem 62: 10391-10401 (2019) Vanderbilt University School of Medicine 2D 3D TSV
31658420 98 Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding.EBI J Med Chem 63: 1445-1472 (2020) Philipps University Marburg 2D 3D TSV
31658413 6 Structure-Activity Relationship Studies of Small Molecule Modulators of the Staphylococcal Accessory Gene Regulator.EBI J Med Chem 63: 2705-2730 (2020) Veterans Affairs Eastern Colorado Health Care System 2D 3D TSV
31657556 9 Enhancing the Cell Permeability of Stapled Peptides with a Cyclic Cell-Penetrating Peptide.EBI J Med Chem 62: 10098-10107 (2019) The Ohio State University 2D 3D TSV
31655430 56 N-alkyl-hydroxybenzoyl anilide hydroxamates as dual inhibitors of HDAC and HSP90, downregulating IFN-? induced PD-L1 expression.EBI Eur J Med Chem 185: (2020) Taipei Medical University 2D 3D TSV
31655429 42 Optimization of pyrrolizine-based Schiff bases with 4-thiazolidinone motif: Design, synthesis and investigation of cytotoxicity and anti-inflammatory potency.EBI Eur J Med Chem 185: (2020) Umm Al-Qura University 2D 3D TSV
31655335 2 From bench to counter: Discovery and validation of a peony extract as tyrosinase inhibiting cosmeceutical.EBI Eur J Med Chem 184: (2019) University of Innsbruck 2D 3D TSV
31648877 17 Design, synthesis and biological evaluation of benzoylacrylic acid shikonin ester derivatives as irreversible dual inhibitors of tubulin and EGFR.EBI Bioorg Med Chem 27: (2019) Nanjing University 2D 3D TSV
31648876 19 Impact of hydroxy moieties at the benzo[7]annulene ring system of GluN2B ligands: Design, synthesis and biological evaluation.EBI Bioorg Med Chem 27: (2019) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
31648875 3 Design, synthesis, and bioactivity of dihydropyrimidine derivatives as kinesin spindle protein inhibitors.EBI Bioorg Med Chem 27: (2019) Tanta University 2D 3D TSV
31648125 8 Overcoming imatinib resistance in chronic myelogenous leukemia cells using non-cytotoxic cell death modulators.EBI Eur J Med Chem 185: (2020) University of Innsbruck 2D 3D TSV
31647659 576 Free-Wilson Analysis of Comprehensive Data on Phosphoinositide-3-kinase (PI3K) Inhibitors Reveals Importance of EBI J Med Chem 62: 10402-10422 (2019) University of Nottingham 2D 3D TSV
31647655 114 Kinase Chemodiversity from the Arctic: The Breitfussins.EBI J Med Chem 62: 10167-10181 (2019) UiT - The Arctic University of Norway 2D 3D TSV
31640885 7 Synthesis of 2-arylhydrazinylidene-3-oxo-4,4,4-trifluorobutanoic acids as new selective carboxylesterase inhibitors and radical scavengers.EBI Bioorg Med Chem Lett 29: (2019) Ural Branch of Russian Academy of Sciences 2D 3D TSV
31638805 6 Development and Therapeutic Potential of Selenazo Compounds.EBI J Med Chem 63: 1473-1489 (2020) Universidad de Navarra 2D 3D TSV
31638799 46 Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.EBI J Med Chem 62: 10204-10220 (2019) Daiichi Sankyo Co., Ltd. 2D 3D TSV
31638797 193 Rationally Designed, Conformationally Constrained Inverse Agonists of ROR?t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.EBI J Med Chem 62: 9931-9946 (2019) Bristol-Myers Squibb 2D 3D TSV
31635932 29 Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.EBI Bioorg Med Chem Lett 29: (2019) Merck Healthcare 2D 3D TSV
31633354 7 Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.EBI J Med Chem 62: 9753-9771 (2019) Philipps-Universit£t Marburg 2D 3D TSV
31633350 2 Engineering Fluorine into Verticillins (Epipolythiodioxopiperazine Alkaloids) via Precursor-Directed Biosynthesis.EBI J Nat Prod 82: 3104-3110 (2019) University of North Carolina at Greensboro 2D 3D TSV
31630858 15 One-pot synthesis of novel tert-butyl-4-substituted phenyl-1H-1,2,3-triazolo piperazine/piperidine carboxylates, potential GPR119 agonists.EBI Bioorg Med Chem Lett 29: (2019) Koneru Lakshmaiah Education Foundation 2D 3D TSV
31630055 21 Optimization of the chromone scaffold through QSAR and docking studies: Identification of potent inhibitors of ABCG2.EBI Eur J Med Chem 184: (2019) Univ. Grenoble Alpes 2D 3D TSV
31630054 335 Synthesis and structure activity relationship of 1, 3-benzo-thiazine-2-thiones as selective HDAC8 inhibitors.EBI Eur J Med Chem 184: (2019) University of Applied Sciences 2D 3D TSV
31630053 21 Synthetic strategy and SAR studies of C-glucoside heteroaryls as SGLT2 inhibitor: A review.EBI Eur J Med Chem 184: (2019) Jamia Hamdard 2D 3D TSV
31629632 3 Novel berberine-based derivatives with potent hypoglycemic activity.EBI Bioorg Med Chem Lett 29: (2019) Guizhou Medical University 2D 3D TSV
31629631 4 Design, synthesis, and biological evaluation of 4-phenoxyquinoline derivatives as potent c-Met kinase inhibitor.EBI Bioorg Med Chem Lett 29: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31629610 96 Piperidine and piperazine inhibitors of fatty acid amide hydrolase targeting excitotoxic pathology.EBI Bioorg Med Chem 27: (2019) Northeastern University 2D 3D TSV
31629164 82 3-Hydrazinoisatin-based benzenesulfonamides as novel carbonic anhydrase inhibitors endowed with anticancer activity: Synthesis, in vitro biological evaluation and in silico insights.EBI Eur J Med Chem 184: (2019) Egyptian Russian University 2D 3D TSV
31629163 7 Benzo[b]thiophene-thiazoles as potent anti-Toxoplasma gondii agents: Design, synthesis, tyrosinase/tyrosine hydroxylase inhibitors, molecular docking study, and antioxidant activity.EBI Eur J Med Chem 184: (2019) Nicolaus Copernicus University 2D 3D TSV
31629162 123 Structure-based design and SAR development of novel selective polo-like kinase 1 inhibitors having the tetrahydropteridin scaffold.EBI Eur J Med Chem 184: (2019) Hefei University of Technology 2D 3D TSV
31627993 33 Synthesis and antidepressant effect of novel aralkyl piperazine and piperidine derivatives targeting SSRI/5-HTEBI Bioorg Med Chem Lett 29: (2019) China State Institute of Pharmaceutical Industry 2D 3D TSV
31627991 35 Design, synthesis and biological evaluation of curcumin analogues as novel LSD1 inhibitors.EBI Bioorg Med Chem Lett 29: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31627059 29 Discovery of a potent histone deacetylase (HDAC) 3/6 selective dual inhibitor.EBI Eur J Med Chem 184: (2019) National University of Singapore 2D 3D TSV
31626547 60 Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.EBI J Med Chem 62: 9703-9717 (2019) University of Warwick 2D 3D TSV
31626545 58 Discovery of Second-Generation NLRP3 Inflammasome Inhibitors: Design, Synthesis, and Biological Characterization.EBI J Med Chem 62: 9718-9731 (2019) TBA 2D 3D TSV
31625751 12 Synthesis, Purification, and Selective ?EBI J Nat Prod 82: 2986-2993 (2019) Shandong University 2D 3D TSV
31625738 4 Trivirensols: Selectively Bacteriostatic Sesquiterpene Trimers from the Australian Termite Nest-Derived Fungus EBI J Nat Prod 82: 3165-3175 (2019) The University of Queensland 2D 3D TSV
31624041 1 Synthesis and biological evaluation of 3-acyl-2-phenylamino-1,4-dihydroquinolin-4(1H)-one derivatives as potential MERS-CoV inhibitors.EBI Bioorg Med Chem Lett 29: (2019) Korea Research Institute of Chemical Technology 2D 3D TSV
31623970 31 Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.EBI Bioorg Med Chem 27: (2019) Hokkaido University 2D 3D TSV
31622854 6 Discovery and biological evaluation of vinylsulfonamide derivatives as highly potent, covalent TEAD autopalmitoylation inhibitors.EBI Eur J Med Chem 184: (2019) Shanghai Institute of Materia Medica 2D 3D TSV
31622099 44 Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88EBI J Med Chem 62: 9918-9930 (2019) AstraZeneca 2D 3D TSV
31622096 49 Small-Molecule Inhibitors of Necroptosis: Current Status and Perspectives.EBI J Med Chem 63: 1490-1510 (2020) Fudan University 2D 3D TSV
31620239 19 Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.EBI ACS Med Chem Lett 10: 1492-1497 (2019) AstraZeneca 2D 3D TSV
31620238 50 Discovery of Pyridazinone and Pyrazolo[1,5-EBI ACS Med Chem Lett 10: 1486-1491 (2019) Bristol-Myers Squibb Company 2D 3D TSV
31620237 18 Scaffold Morphing To Identify Novel DprE1 Inhibitors with Antimycobacterial Activity.EBI ACS Med Chem Lett 10: 1480-1485 (2019) AstraZeneca 2D 3D TSV
31620231 68 Dual Inhibition of TAF1 and BET Bromodomains from the BI-2536 Kinase Inhibitor Scaffold.EBI ACS Med Chem Lett 10: 1443-1449 (2019) Dana Farber Cancer Institute 2D 3D TSV
31620230 283 3-Amino-chromanes and Tetrahydroquinolines as Selective 5-HTEBI ACS Med Chem Lett 10: 1436-1442 (2019) University of Minnesota Twin Cities 2D 3D TSV
31620228 11 Novel Pyrazole-Containing Compounds Active against EBI ACS Med Chem Lett 10: 1423-1429 (2019) Sapienza University of Rome 2D 3D TSV
31620227 9 Chalcone-Thiazole Hybrids: Rational Design, Synthesis, and Lead Identification against 5-Lipoxygenase.EBI ACS Med Chem Lett 10: 1415-1422 (2019) Indian Institute of Technology 2D 3D TSV
31620226 66 Pyridinylimidazoles as GSK3? Inhibitors: The Impact of Tautomerism on Compound Activity via Water Networks.EBI ACS Med Chem Lett 10: 1407-1414 (2019) Eberhard Karls Universit£t T£bingen 2D 3D TSV
31620221 6 Lysophosphatidic Acid Receptor 1 Antagonists for the Treatment of Fibrosis.EBI ACS Med Chem Lett 10: 1378-1379 (2019) Therachem Research Medilab, LLC 2D 3D TSV
31620220 11 Inhibitors of KRAS May Potentially Provide Effective Cancer Treatment.EBI ACS Med Chem Lett 10: 1376-1377 (2019) Therachem Research Medilab, LLC. 2D 3D TSV
31620219 24 Second-Generation FGFR Inhibitors for the Treatment of Cancers Harboring Mutated FGFRs.EBI ACS Med Chem Lett 10: 1374-1375 (2019) Therachem Research Medilab, LLC. 2D 3D TSV
31620216 5 PROTAC-Mediated Degradation of Estrogen Receptor in the Treatment of Cancer.EBI ACS Med Chem Lett 10: 1367-1369 (2019) Usona Institute 2D 3D TSV
31618032 17 Structure-Activity Relationships of EBI J Med Chem 62: 9792-9805 (2019) University of Melbourne 2D 3D TSV
31618031 28 Protein Tyrosine Phosphatase 1B Inhibitory Iridoids from EBI J Nat Prod 82: 2916-2924 (2019) University of Illinois at Chicago 2D 3D TSV
31618025 2 Garcinol and Related Polyisoprenylated Benzophenones as Topoisomerase II Inhibitors: Biochemical and Molecular Modeling Studies.EBI J Nat Prod 82: 2768-2779 (2019) European Biomedical Research Institute of Salerno (EBRIS) 2D 3D TSV
31618024 26 Structure-Activity Relationships of Fish Oil Derivatives with Antiallergic Activity in Vitro and in Vivo.EBI J Med Chem 62: 9576-9592 (2019) Ehime University 2D 3D TSV
31617361 122 Oleanolic Acid Derivatives as Potential Inhibitors of HIV-1 Protease.EBI J Nat Prod 82: 2886-2896 (2019) TBA 2D 3D TSV
31614258 178 Discovery and development of extreme selective inhibitors of the ITD and D835Y mutant FLT3 kinases.EBI Eur J Med Chem 184: (2019) Vichem Chemie Research Ltd 2D 3D TSV
31613617 195 Benzyl Phenylsemicarbazides: A Chemistry-Driven Approach Leading to G Protein-Biased Dopamine DEBI J Med Chem 62: 9658-9679 (2019) Friedrich-Alexander-Universit£t Erlangen-N£rnberg 2D 3D TSV
31610943 354 Lead identification and characterization of hTrkA type 2 inhibitors.EBI Bioorg Med Chem Lett 29: (2019) Zoetis Inc 2D 3D TSV
31610942 65 Discovery of novel inhibitors of phosphodiesterase 4 with 1-phenyl-3,4-dihydroisoquinoline scaffold: Structure-based drug design and fragment identification.EBI Bioorg Med Chem Lett 29: (2019) South China Agricultural University 2D 3D TSV
31610377 5 Structure-activity relationship study of NPP1 inhibitors based on uracil-N1-(methoxy)ethyl-?-phosphate scaffold.EBI Eur J Med Chem 184: (2019) Bar-Ilan University 2D 3D TSV
31610376 28 Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors.EBI Eur J Med Chem 184: (2019) China Pharmaceutical University 2D 3D TSV
31610372 3 Design, synthesis, and biological evaluation of 1-substituted -2-aryl imidazoles targeting tubulin polymerization as potential anticancer agents.EBI Eur J Med Chem 184: (2019) Southern Medical University 2D 3D TSV
31609613 244 Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.EBI J Med Chem 62: 9045-9060 (2019) TBA 2D 3D TSV
31609608 59 Dual-Acting Cholinesterase-Human Cannabinoid Receptor 2 Ligands Show Pronounced Neuroprotection in Vitro and Overadditive and Disease-Modifying Neuroprotective Effects in Vivo.EBI J Med Chem 62: 9078-9102 (2019) Julius Maximilian University of W£rzburg 2D 3D TSV
31609115 50 Highly Selective Butyrylcholinesterase Inhibitors with Tunable Duration of Action by Chemical Modification of Transferable Carbamate Units Exhibit Pronounced Neuroprotective Effect in an Alzheimer's Disease Mouse Model.EBI J Med Chem 62: 9116-9140 (2019) Julius Maximilian University W£rzburg 2D 3D TSV
31606346 58 Discovery and optimization of covalent Bcl-xL antagonists.EBI Bioorg Med Chem Lett 29: (2019) AstraZeneca 2D 3D TSV
31604164 76 Anti-hepatitis-C virus activity and QSAR study of certain thiazolidinone and thiazolotriazine derivatives as potential NS5B polymerase inhibitors.EBI Eur J Med Chem 184: (2019) Cairo University 2D 3D TSV
31603674 48 Development and Characterization of a Fluorescent Probe for GLS1 and the Application for High-Throughput Screening of Allosteric Inhibitors.EBI J Med Chem 62: 9642-9657 (2019) China Pharmaceutical University 2D 3D TSV
31599580 10 Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2-EBI J Med Chem 63: 2547-2556 (2020) University of Oxford 2D 3D TSV
31597043 23 Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1.EBI J Med Chem 62: 9890-9905 (2019) University Medicine Greifswald 2D 3D TSV
31596583 306 Synthesis and Pharmacological Evaluation of 1-Phenyl-3-Thiophenylurea Derivatives as Cannabinoid Type-1 Receptor Allosteric Modulators.EBI J Med Chem 62: 9806-9823 (2019) Research Triangle Institute 2D 3D TSV
31596080 10 Design, Synthesis, and Pharmacological Evaluation of Potent Positive Allosteric Modulators of the Glucagon-like Peptide-1 Receptor (GLP-1R).EBI J Med Chem 63: 2292-2307 (2020) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
31591015 34 Design, synthesis, and evaluation of potent novel peroxisome proliferator-activated receptor ? indole partial agonists.EBI Bioorg Med Chem Lett 29: (2019) The University of Oklahoma Health Science Center 2D 3D TSV
31589992 58 Discovery of novel allosteric site and covalent inhibitors of FBPase with potent hypoglycemic effects.EBI Eur J Med Chem 184: (2019) International Cooperation Base of Pesticide and Green Synthesis (Hubei) 2D 3D TSV
31589440 90 High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide EBI J Med Chem 62: 9837-9873 (2019) BioKin Ltd. 2D 3D TSV
31589047 6 Protein Stability Effects in Aggregate-Based Enzyme Inhibition.EBI J Med Chem 62: 9593-9599 (2019) University of California 2D 3D TSV
31589043 91 Discovery of AM-6494: A Potent and Orally Efficacious ?-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2.EBI J Med Chem 63: 2263-2281 (2020) TBA 2D 3D TSV
31586817 96 Synthesis and biological evaluation of new multi-target 3-(1H-indol-3-yl)pyrrolidine-2,5-dione derivatives with potential antidepressant effect.EBI Eur J Med Chem 183: (2019) Medical University of Warsaw 2D 3D TSV
31585275 8 Novel virosecurinine bivalent mimetics as potent reversal agents against P-glycoprotein-mediated multidrug resistance.EBI Eur J Med Chem 183: (2019) Jinan University 2D 3D TSV
31581005 29 Phosphatidylinositol 3 kinase (PI3K) inhibitors as new weapon to combat cancer.EBI Eur J Med Chem 183: (2019) Ain Shams University 2D 3D TSV
31581004 41 The discovery of a potent and selective third-generation EGFR kinase inhibitor as a therapy for EGFR L858R/T790M double mutant non-small cell lung cancer.EBI Eur J Med Chem 183: (2019) Sun Yat-sen University 2D 3D TSV
31581003 57 Structure-activity relationships of serotonin 5-HTEBI Eur J Med Chem 183: (2019) Normandie Univ 2D 3D TSV
31581002 70 Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease.EBI Eur J Med Chem 183: (2019) Chinese Academy of Sciences 2D 3D TSV
31580668 29 Hot-Spots of Mcl-1 Protein.EBI J Med Chem 63: 928-943 (2020) Normandie Univiversit� 2D 3D TSV
31580666 206 Structure-Kinetic Profiling of Haloperidol Analogues at the Human Dopamine DEBI J Med Chem 62: 9488-9520 (2019) University of Nottingham 2D 3D TSV
31580660 120 -Benzyl/Aryl Substituted Tryptanthrin as Dual Inhibitors of Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase.EBI J Med Chem 62: 9161-9174 (2019) Fudan University 2D 3D TSV
31580073 92 Identification and Optimization of Mechanism-Based Fluoroallylamine Inhibitors of Lysyl Oxidase-like 2/3.EBI J Med Chem 62: 9874-9889 (2019) Pharmaxis Ltd 2D 3D TSV
31577901 15 Chirality-Driven Mode of Binding of ?-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).EBI J Med Chem 62: 9691-9702 (2019) McGill University 2D 3D TSV
31577440 4 Recent Developments in Therapeutic Peptides for the Glucagon-like Peptide 1 and 2 Receptors.EBI J Med Chem 63: 905-927 (2020) Sosei Heptares 2D 3D TSV
31573805 2 Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic EBI J Nat Prod 82: 2897-2906 (2019) Huazhong University of Science and Technology 2D 3D TSV
31569004 18 Discovery of 2-aminopyridines bearing a pyridone moiety as potent ALK inhibitors to overcome the crizotinib-resistant mutants.EBI Eur J Med Chem 183: (2019) Zhejiang University 2D 3D TSV
31566384 134 Development of Chemical Entities Endowed with Potent Fast-Killing Properties against EBI J Med Chem 62: 9217-9235 (2019) GlaxoSmithKline 2D 3D TSV
31564385 17 Divalent cannabinoid-1 receptor ligands: A linker attachment point survey of SR141716A for development of high-affinity CB1R molecular probes.EBI Bioorg Med Chem Lett 29: (2019) University of Auckland 2D 3D TSV
31563807 63 Discovery of novel, potent, isosteviol-based antithrombotic agents.EBI Eur J Med Chem 183: (2019) Peking University 2D 3D TSV
31563013 69 Synthesis, anticancer activity, and molecular modeling of 1,4-naphthoquinones that inhibit MKK7 and Cdc25.EBI Eur J Med Chem 183: (2019) Montana State University 2D 3D TSV
31563012 4 Ellagic acid a multi-target bioactive compound for drug discovery in CNS? A narrative review.EBI Eur J Med Chem 183: (2019) University of Genoa 2D 3D TSV
31561938 64 Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement.EBI Bioorg Med Chem 27: (2019) Universidade de S£o Paulo 2D 3D TSV
31561937 32 Recent advances in class IIa histone deacetylases research.EBI Bioorg Med Chem 27: (2019) Heinrich-Heine-Universit£t D£sseldorf 2D 3D TSV
31561044 63 Discovery of new small molecule inhibitors targeting isocitrate dehydrogenase 1 (IDH1) with blood-brain barrier penetration.EBI Eur J Med Chem 183: (2019) Chinese Academy of Sciences 2D 3D TSV
31560543 30 Simple Structural Modifications Converting a Bona fide MDM2 PROTAC Degrader into a Molecular Glue Molecule: A Cautionary Tale in the Design of PROTAC Degraders.EBI J Med Chem 62: 9471-9487 (2019) TBA 2D 3D TSV
31560541 128 Discovery of a Furanopyrimidine-Based Epidermal Growth Factor Receptor Inhibitor (DBPR112) as a Clinical Candidate for the Treatment of Non-Small Cell Lung Cancer.EBI J Med Chem 62: 10108-10123 (2019) National Health Research Institutes 2D 3D TSV
31560200 30 Selective Phenylimidazole-Based Inhibitors of the EBI J Med Chem 62: 9246-9253 (2019) Weill Cornell Medicine 2D 3D TSV
31557612 15 Dihydroorotate dehydrogenase inhibitors in anti-infective drug research.EBI Eur J Med Chem 183: (2019) University of Turin (UniTo) 2D 3D TSV
31557611 27 Design, synthesis and biological evaluation of N-(3-(1H-tetrazol-1-yl)phenyl)isonicotinamide derivatives as novel xanthine oxidase inhibitors.EBI Eur J Med Chem 183: (2019) China Medical University 2D 3D TSV
31557608 3 Insights on the synthesis of asymmetric curcumin derivatives and their biological activities.EBI Eur J Med Chem 183: (2019) Universiti Kuala Lumpur 2D 3D TSV
31557025 100 Trifluorinated Pyrimidine-Based AEBI J Med Chem 62: 9315-9330 (2019) Uppsala University 2D 3D TSV
31556611 17 Discovery of Novel Aryl Carboxamide Derivatives as Hypoxia-Inducible Factor 1? Signaling Inhibitors with Potent Activities of Anticancer Metastasis.EBI J Med Chem 62: 9299-9314 (2019) Anhui Medical University 2D 3D TSV
31553873 88 Anti-biofilm Agents against EBI J Med Chem 62: 9201-9216 (2019) Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) 2D 3D TSV
31550662 109 Progress in the development of more effective and safer analgesics for pain management.EBI Eur J Med Chem 183: (2019) University of Catania 2D 3D TSV
31550661 74 Heme Oxygenase-2 (HO-2) as a therapeutic target: Activators and inhibitors.EBI Eur J Med Chem 183: (2019) University of Catania 2D 3D TSV
31550660 40 Design, synthesis and biological evaluation of novel 7H-pyrrolo[2,3-d]pyrimidine derivatives as potential FAK inhibitors and anticancer agents.EBI Eur J Med Chem 183: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31550156 43 A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.EBI J Med Chem 62: 9008-9025 (2019) University of Oxford 2D 3D TSV
31550155 60 Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.EBI J Med Chem 62: 9188-9200 (2019) TBA 2D 3D TSV
31550151 17 The Exploration of Chirality for Improved Druggability within the Human Kinome.EBI J Med Chem 63: 441-469 (2020) University of Arkansas for Medical Sciences 2D 3D TSV
31550150 23 p97: An Emerging Target for Cancer, Neurodegenerative Diseases, and Viral Infections.EBI J Med Chem 63: 1892-1907 (2020) TBA 2D 3D TSV
31549838 8 Discovery of an Extremely Potent Thiazine-Based ?-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.EBI J Med Chem 62: 9331-9337 (2019) TBA 2D 3D TSV
31549836 54 Drugs for the Treatment of Zika Virus Infection.EBI J Med Chem 63: 470-489 (2020) University of North Carolina at Chapel Hill 2D 3D TSV
31548084 28 Structure optimization of a new class of PPAR? antagonists.EBI Bioorg Med Chem 27: (2019) Fraunhofer Institute for Molecular Biology and Applied Ecology IME 2D 3D TSV
31547945 88 Design, synthesis and biological evaluation of novel serotonin and dopamine receptor ligands being 6-bromohexyl saccharine derivatives.EBI Bioorg Med Chem Lett 29: (2019) Cracow University of Technology 2D 3D TSV
31546197 1 1,2,3-Triazole-containing hybrids as potential anticancer agents: Current developments, action mechanisms and structure-activity relationships.EBI Eur J Med Chem 183: (2019) Guizhou University of Traditional Chinese Medicine 2D 3D TSV
31543303 17 Rational discovery of a highly novel and selective mTOR inhibitor.EBI Bioorg Med Chem Lett 29: (2019) Takeda California 2D 3D TSV
31542715 112 Synthesis of coumarin-sulfonamide derivatives and determination of their cytotoxicity, carbonic anhydrase inhibitory and molecular docking studies.EBI Eur J Med Chem 183: (2019) Bezmialem Vakif University 2D 3D TSV
31542713 2 Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.EBI Eur J Med Chem 183: (2019) University of Modena and Reggio Emilia 2D 3D TSV
31541870 2 Design and synthesis of (2-(phenylamino)thieno[3,2-d]pyrimidin-4-yl)(3,4,5-trimethoxyphenyl)methanone analogues as potent anti-tubulin polymerization agents.EBI Eur J Med Chem 183: (2019) Peking University 2D 3D TSV
31541869 12 Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries.EBI Eur J Med Chem 183: (2019) Shandong University 2D 3D TSV
31539780 2 Polygala tenuifolia-Acori tatarinowii herbal pair as an inspiration for substituted cinnamic ?-asaronol esters: Design, synthesis, anticonvulsant activity, and inhibition of lactate dehydrogenase study.EBI Eur J Med Chem 183: (2019) Northwest University 2D 3D TSV
31539778 58 New oxadiazoles with selective-COX-2 and EGFR dual inhibitory activity: Design, synthesis, cytotoxicity evaluation and in silico studies.EBI Eur J Med Chem 183: (2019) Cairo University 2D 3D TSV
31539777 92 Continued exploration and tail approach synthesis of benzenesulfonamides containing triazole and dual triazole moieties as carbonic anhydrase I, II, IV and IX inhibitors.EBI Eur J Med Chem 183: (2019) Kurukshetra University 2D 3D TSV
31539239 33 Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and EBI J Med Chem 62: 9026-9044 (2019) The University of Jordan 2D 3D TSV
31537425 11 Design, synthesis and evaluation of activity and pharmacokinetic profile of new derivatives of xanthone and piperazine in the central nervous system.EBI Bioorg Med Chem Lett 29: (2019) Jagiellonian University Medical College 2D 3D TSV
31537424 24 Discovery of a novel 3,4-dimethylcinnoline carboxamide MEBI Bioorg Med Chem Lett 29: (2019) Vanderbilt University 2D 3D TSV
31537422 34 1,3,4-Oxadiazol-2-ylbenzenesulfonamides as privileged structures for the inhibition of monoamine oxidase B.EBI Bioorg Med Chem Lett 29: (2019) Ushinsky Yaroslavl State Pedagogical University 2D 3D TSV
31536895 27 Indole: A privileged scaffold for the design of anti-cancer agents.EBI Eur J Med Chem 183: (2019) Hunan University of Science and Technology 2D 3D TSV
31536894 50 Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.EBI Eur J Med Chem 183: (2019) Yale University 2D 3D TSV
31536893 10 Sulfide, sulfoxide and sulfone bridged acyclic nucleoside phosphonates as inhibitors of the Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases: Synthesis and evaluation.EBI Eur J Med Chem 183: (2019) The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences 2D 3D TSV
31536891 13 Potent combretastatin A-4 analogs containing 1,2,4-triazole: Synthesis, antiproliferative, anti-tubulin activity, and docking study.EBI Eur J Med Chem 183: (2019) Minia University 2D 3D TSV
31536340 44 SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.EBI J Med Chem 62: 9438-9449 (2019) University of California 2D 3D TSV
31532662 19 Discovery of GSK3527497: A Candidate for the Inhibition of Transient Receptor Potential Vanilloid-4 (TRPV4).EBI J Med Chem 62: 9270-9280 (2019) GlaxoSmithKline 2D 3D TSV
31532644 8 Synthesis and Pharmacological Characterization of 2-(2,6-Dichlorophenyl)-1-((1EBI J Med Chem 62: 8711-8732 (2019) AMRI UK Ltd 2D 3D TSV
31532206 26 Development of High-Throughput Fluorescent-Based Screens to Accelerate Discovery of P2X Inhibitors from Animal Venoms.EBI J Nat Prod 82: 2559-2567 (2019) University of East Anglia 2D 3D TSV
31532203 24 Cinerols, Nitrogenous Meroterpenoids from the Marine Sponge EBI J Nat Prod 82: 2586-2593 (2019) Shanghai Jiao Tong University 2D 3D TSV
31531209 20 ?-Fluorofentanyls Are pH-Sensitive Mu Opioid Receptor Agonists.EBI ACS Med Chem Lett 10: 1353-1356 (2019) Marquette University 2D 3D TSV
31531208 46 A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences.EBI ACS Med Chem Lett 10: 1346-1352 (2019) Goethe-University Frankfurt 2D 3D TSV
31531207 6 Photoswitchable Inhibitor of the Calcium Channel TRPV6.EBI ACS Med Chem Lett 10: 1341-1345 (2019) University of Bern 2D 3D TSV
31531206 2 Fluorinated Analogues of the Histone Deacetylase Inhibitor Vorinostat (Zolinza): Validation of a Chiral Hybrid Bioisostere, BITE.EBI ACS Med Chem Lett 10: 1336-1340 (2019) University of Munster 2D 3D TSV
31531204 14 Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.EBI ACS Med Chem Lett 10: 1322-1327 (2019) AstraZeneca 2D 3D TSV
31531201 37 Discovery of EBI ACS Med Chem Lett 10: 1302-1308 (2019) Amgen Inc. 2D 3D TSV
31531200 34 Systematically Mitigating the p38? Activity of Triazole-based BET Inhibitors.EBI ACS Med Chem Lett 10: 1296-1301 (2019) University of Minnesota Twin Cities 2D 3D TSV
31531198 24 Synthesis and Bioactivity of the Alanyl Phosphonamidate Stereoisomers Derived from a Butyrophilin Ligand.EBI ACS Med Chem Lett 10: 1284-1289 (2019) University of Iowa 2D 3D TSV
31531195 6 Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2.EBI ACS Med Chem Lett 10: 1266-1271 (2019) Universidade Estadual de Campinas (UNICAMP) 2D 3D TSV
31531194 30 Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).EBI ACS Med Chem Lett 10: 1260-1265 (2019) Genentech 2D 3D TSV
31531192 6 PROTAC Degradation of IRAK4 for the Treatment of Neurodegenerative and Cardiovascular Diseases.EBI ACS Med Chem Lett 10: 1251-1252 (2019) Usona Institute 2D 3D TSV
31531191 10 Triazolo Pyridines Useful as Inhibitors of ?-Secretase and Their Methods of Use.EBI ACS Med Chem Lett 10: 1249-1250 (2019) Temple University School of Pharmacy 2D 3D TSV
31531190 10 Sodium Channel Modulators and Their Method of Use.EBI ACS Med Chem Lett 10: 1247-1248 (2019) Temple University School of Pharmacy 2D 3D TSV
31531189 12 Modulators of KEAP-1 Activity as Potential Therapies for the Treatment of Neurodegenerative Disorders.EBI ACS Med Chem Lett 10: 1245-1246 (2019) Temple University School of Pharmacy 2D 3D TSV
31531188 14 Triazolo-azepine Inhibitors of ?-Secretase and Their Methods of Use.EBI ACS Med Chem Lett 10: 1243-1244 (2019) Temple University School of Pharmacy 2D 3D TSV
31526973 49 [1]Benzothieno[3,2-d]pyrimidine derivatives as ligands for the serotonergic 5-HTEBI Eur J Med Chem 183: (2019) Universit£ di Catania 2D 3D TSV
31526603 379 Structure-based rational design of staurosporine-based fluorescent probe with broad-ranging kinase affinity for kinase panel application.EBI Bioorg Med Chem Lett 29: (2019) Takeda Pharmaceutical Company Limited 2D 3D TSV
31526003 158 Investigation of Novel Primary and Secondary Pharmacophores and 3-Substitution in the Linking Chain of a Series of Highly Selective and Bitopic Dopamine DEBI J Med Chem 62: 9061-9077 (2019) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
31525968 170 Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaEBI J Med Chem 62: 9618-9641 (2019) Xenon Pharmaceuticals Inc. 2D 3D TSV
31525966 22 Inhibition of the Cytolytic Protein Perforin Prevents Rejection of Transplanted Bone Marrow Stem Cells in Vivo.EBI J Med Chem 63: 2229-2239 (2020) University of Auckland 2D 3D TSV
31525930 22 Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1).EBI J Med Chem 62: 8784-8795 (2019) SIB Swiss Institute of Bioinformatics 2D 3D TSV
31521478 2 Antibacterial activity of 2-amino-4-hydroxypyrimidine-5-carboxylates and binding to Burkholderia pseudomallei 2-C-methyl-d-erythritol-2,4-cyclodiphosphate synthase.EBI Bioorg Med Chem Lett 29: (2019) Northern Illinois University 2D 3D TSV
31521475 205 Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.EBI Bioorg Med Chem Lett 29: (2019) GlaxoSmithKline 2D 3D TSV
31521459 95 The discovery and optimization of a series of 2-aminobenzoxazole derivatives as ChemR23 inhibitors.EBI Bioorg Med Chem 27: (2019) Kyowa Kirin Co., Ltd. 2D 3D TSV
31521458 40 Synthesis and biological evaluation of calycanthaceous alkaloid analogs.EBI Bioorg Med Chem 27: (2019) Jiangsu University of Science and Technology 2D 3D TSV
31521028 67 Immunoproteasome-selective inhibitors: An overview of recent developments as potential drugs for hematologic malignancies and autoimmune diseases.EBI Eur J Med Chem 182: (2019) Hangzhou Xixi Hospital 2D 3D TSV
31520926 28 Discovery of a potent p38?/MAPK14 kinase inhibitor: Synthesis, in vitro/in vivo biological evaluation, and docking studies.EBI Eur J Med Chem 183: (2019) University of Sharjah 2D 3D TSV
31519378 1 C-terminal modulators of heat shock protein of 90?kDa (HSP90): State of development and modes of action.EBI Bioorg Med Chem 27: (2019) Heinrich Heine University D£sseldorf 2D 3D TSV
31519374 40 Discovery of potent and orally bioavailable indazole-based glucagon receptor antagonists for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 29: (2019) Janssen Research & Development, L.L.C. 2D 3D TSV
31519373 67 Benzothiazole-based compounds as potent endothelial lipase inhibitors.EBI Bioorg Med Chem Lett 29: (2019) Bristol-Myers Squibb 2D 3D TSV
31518969 59 Development of novel multipotent compounds modulating endocannabinoid and dopaminergic systems.EBI Eur J Med Chem 183: (2019) University of Siena 2D 3D TSV
31518122 2 The Rise of Molecules Able To Regenerate the Central Nervous System.EBI J Med Chem 63: 490-511 (2020) Universit£ Grenoble Alpes 2D 3D TSV
31515058 80 Synthesis and exploration of 2-morpholino-4-phenylthiazol-5-yl acrylamide derivatives for their effects against carbonic anhydrase I, II, IX and XII isoforms as a non-sulfonamide class of inhibitors.EBI Bioorg Med Chem 27: (2019) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
31515057 20 Highly hydrophilic 1,3-oxazol-5-yl benzenesulfonamide inhibitors of carbonic anhydrase II for reduction of glaucoma-related intraocular pressure.EBI Bioorg Med Chem 27: (2019) Saint Petersburg State University 2D 3D TSV
31514062 80 Recent advances in the development of cyclin-dependent kinase 7 inhibitors.EBI Eur J Med Chem 183: (2019) Tianjin University of Science and Technology 2D 3D TSV
31514061 35 Synthesis of benzotriazoles derivatives and their dual potential as ?-amylase and ?-glucosidase inhibitors in vitro: Structure-activity relationship, molecular docking, and kinetic studies.EBI Eur J Med Chem 183: (2019) University of Karachi 2D 3D TSV
31514019 43 Activity of 2,6,9-trisubstituted purines as potent PDGFR? kinase inhibitors with antileukaemic activity.EBI Eur J Med Chem 182: (2019) Palack£ University and Institute of Experimental Botany 2D 3D TSV
31514018 41 Discovery of potent 4-aminoquinoline hydrazone inhibitors of NRH:quinoneoxidoreductase-2 (NQO2).EBI Eur J Med Chem 182: (2019) University of Manchester 2D 3D TSV
31513411 41 Identification of a Unique Resorcylic Acid Lactone Derivative That Targets Both Lymphangiogenesis and Angiogenesis.EBI J Med Chem 62: 9141-9160 (2019) Korea University 2D 3D TSV
31513410 20 Design and Biological Evaluation of EBI J Med Chem 62: 8773-8783 (2019) Shenyang Pharmaceutical University 2D 3D TSV
31509708 81 Targeting the ?-Aminobutyric Acid Type B (GABAEBI J Med Chem 62: 8819-8830 (2019) University of Copenhagen 2D 3D TSV
31505928 17 Potential Tools for Eradicating HIV Reservoirs in the Brain: Development of Trojan Horse Prodrugs for the Inhibition of P-Glycoprotein with Anti-HIV-1 Activity.EBI J Med Chem 63: 2131-2138 (2020) Purdue University 2D 3D TSV
31505452 51 A fluorine scan on the ZnEBI Eur J Med Chem 182: (2019) Fudan University 2D 3D TSV
31505451 9 Discovery and synthesis of 3- and 21-substituted fusidic acid derivatives as reversal agents of P-glycoprotein-mediated multidrug resistance.EBI Eur J Med Chem 182: (2019) Yantai University 2D 3D TSV
31502843 2 Structural Characterization of Agonist Binding to an AEBI J Med Chem 62: 8831-8846 (2019) National and Kapodistrian University of Athens 2D 3D TSV
31499361 28 Recent advances in the targeting of human DNA ligase I as a potential new strategy for cancer treatment.EBI Eur J Med Chem 182: (2019) University of Allahabad 2D 3D TSV
31499359 1 Design, synthesis, and biological evaluation of novel benzodiazepine derivatives as anticancer agents through inhibition of tubulin polymerization in vitro and in vivo.EBI Eur J Med Chem 182: (2019) The Second Affiliated Hospital of Guangzhou University of Chinese Medicine 2D 3D TSV
31499358 4 14- and 15-membered lactone macrolides and their analogues and hybrids: structure, molecular mechanism of action and biological activity.EBI Eur J Med Chem 182: (2019) Adam Mickiewicz University 2D 3D TSV
31498617 29 Discovery of Benzamidine- and 1-Aminoisoquinoline-Based Human MAS-Related G-Protein-Coupled Receptor X1 (MRGPRX1) Agonists.EBI J Med Chem 62: 8631-8641 (2019) Eisai Co., Ltd. 2D 3D TSV
31497959 48 Discovery of an Orally Bioavailable Pan ?v Integrin Inhibitor for Idiopathic Pulmonary Fibrosis.EBI J Med Chem 62: 8796-8808 (2019) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
31496251 31 Structure-Reactivity Relationships on Substrates and Inhibitors of the Lysine Deacylase Sirtuin 2 from EBI J Med Chem 62: 8733-8759 (2019) University of Freiburg 2D 3D TSV
31495556 9 In vitro cytotoxicity screening to identify novel anti-osteosarcoma therapeutics targeting pyruvate dehydrogenase kinase 2.EBI Bioorg Med Chem Lett 29: (2019) Capital Medical University 2D 3D TSV
31494475 5 Natural products as important tyrosine kinase inhibitors.EBI Eur J Med Chem 182: (2019) Southwest Jiaotong University 2D 3D TSV
31494471 15 Natural dimers of coumarin, chalcones, and resveratrol and the link between structure and pharmacology.EBI Eur J Med Chem 182: (2019) Nagasaki International University 2D 3D TSV
31494470 69 Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.EBI Eur J Med Chem 182: (2019) Dalian Medical University 2D 3D TSV
31494468 61 Design, synthesis and biological evaluation of stereo- and regioisomers of amino aryl esters as multidrug resistance (MDR) reversers.EBI Eur J Med Chem 182: (2019) University of Florence 2D 3D TSV
31494467 196 Identification and characterization of benzo[d]oxazol-2(3H)-one derivatives as the first potent and selective small-molecule inhibitors of chromodomain protein CDYL.EBI Eur J Med Chem 182: (2019) Peking University 2D 3D TSV
31493989 14 Synthesis, biological evaluation and molecular docking of 4-Amino-2H-benzo[h]chromen-2-one (ABO) analogs containing the piperazine moiety.EBI Bioorg Med Chem 27: (2019) Luoyang Normal University 2D 3D TSV
31493745 12 Recent advancements in mechanistic studies and structure activity relationship of FEBI Eur J Med Chem 182: (2019) Kurukshetra University 2D 3D TSV
31493744 3 Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies.EBI Eur J Med Chem 182: (2019) The Hong Kong Polytechnic University 2D 3D TSV
31493743 32 Design, synthesis and biological evaluation of a new series of thiazolyl-pyrazolines as dual EGFR and HER2 inhibitors.EBI Eur J Med Chem 182: (2019) Anadolu University 2D 3D TSV
31492533 15 Synthesis, biological activities, and docking studies of d-pantolactone derivatives as novel FAS inhibitors.EBI Bioorg Med Chem 27: (2019) Third Institute of Oceanography 2D 3D TSV
31492532 48 An exploration of solvent-front region high affinity moiety leading to novel potent ALK & ROS1 dual inhibitors with mutant-combating effects.EBI Bioorg Med Chem 27: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31492518 40 Discovery of novel steroidal histamine HEBI Bioorg Med Chem Lett 29: (2019) Chemical Works of Gedeon Richter Plc 2D 3D TSV
31490070 58 Structure-Based Discovery and Development of a Series of Potent and Selective Bromodomain and Extra-Terminal Protein Inhibitors.EBI J Med Chem 62: 8642-8663 (2019) University of Chinese Academy of Sciences 2D 3D TSV
31488358 8 Novel promising 4-anilinoquinazoline-based derivatives as multi-target RTKs inhibitors: Design, molecular docking, synthesis, and antitumor activities in vitro and vivo.EBI Bioorg Med Chem 27: (2019) Beijing Normal University 2D 3D TSV
31488357 19 Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem 27: (2019) Universitat de Barcelona 2D 3D TSV
31487175 195 Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.EBI J Med Chem 62: 10062-10097 (2019) Merck & Co. 2D 3D TSV
31483660 20 Competitive Binding Assay with an Umbelliferone-Based Fluorescent Rexinoid for Retinoid X Receptor Ligand Screening.EBI J Med Chem 62: 8809-8818 (2019) Okayama University Graduate School of Medicine 2D 3D TSV
31479975 25 Neurobehavioral investigation and acetylcholinesterase inhibitory activity study for some new coumarin derivatives.EBI Eur J Med Chem 182: (2019) Cairo University 2D 3D TSV
31477350 80 Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).EBI Bioorg Med Chem Lett 29: (2019) Eli Lilly and Company 2D 3D TSV
31476557 164 From random to rational: A discovery approach to selective subnanomolar inhibitors of human carbonic anhydrase IV based on the Castagnoli-Cushman multicomponent reaction.EBI Eur J Med Chem 182: (2019) Saint Petersburg State University 2D 3D TSV
31474484 20 GAC inhibitors with a 4-hydroxypiperidine spacer: Requirements for potency.EBI Bioorg Med Chem Lett 29: (2019) University of Pittsburgh 2D 3D TSV
31474482 5 ?-Hydroxy isoprenoid bisphosphonates as linkable GGDPS inhibitors.EBI Bioorg Med Chem Lett 29: (2019) University of Iowa 2D 3D TSV
31472474 53 Discovery of dual-acting opioid ligand and TRPV1 antagonists as novel therapeutic agents for pain.EBI Eur J Med Chem 182: (2019) Seoul National University 2D 3D TSV
31472471 158 Structure-activity relationship with pyrazoline-based aromatic sulfamates as carbonic anhydrase isoforms I, II, IX and XII inhibitors: Synthesis and biological evaluation.EBI Eur J Med Chem 182: (2019) University of Cagliari 2D 3D TSV
31471167 4 Potent bicyclic inhibitors of malarial cGMP-dependent protein kinase: approaches to combining improvements in cell potency, selectivity and structural novelty.EBI Bioorg Med Chem Lett 29: (2019) LifeArc 2D 3D TSV
31471103 6 Novel lipid side chain modified exenatide analogs emerged prolonged glucoregulatory activity and potential body weight management properties.EBI Bioorg Med Chem 27: (2019) China Pharmaceutical University 2D 3D TSV
31471102 1 Novel thiazolidines: Synthesis, antiproliferative properties and 2D-QSAR studies.EBI Bioorg Med Chem 27: (2019) University of Texas-Arlington 2D 3D TSV
31469962 122 Identification of Novel Resorcinol Amide Derivatives as Potent and Specific Pyruvate Dehydrogenase Kinase (PDHK) Inhibitors.EBI J Med Chem 62: 8461-8479 (2019) Korea University 2D 3D TSV
31469560 20 Indole-Diterpenoids with Protein Tyrosine Phosphatase Inhibitory Activities from the Marine-Derived Fungus EBI J Nat Prod 82: 2638-2644 (2019) Hebei University 2D 3D TSV
31469288 180 [EBI J Med Chem 62: 8338-8356 (2019) University of Regensburg 2D 3D TSV
31466835 3 Optimization and anti-inflammatory evaluation of methyl gallate derivatives as a myeloid differentiation protein 2 inhibitor.EBI Bioorg Med Chem 27: (2019) Wenzhou Medical University 2D 3D TSV
31466809 10 Design, synthesis, and biological evaluation of 4-((6,7-dimethoxyquinoline-4-yl)oxy)aniline derivatives as FLT3 inhibitors for the treatment of acute myeloid leukemia.EBI Bioorg Med Chem Lett 29: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31465686 355 Triazole Bridged Flavonoid Dimers as Potent, Nontoxic, and Highly Selective Breast Cancer Resistance Protein (BCRP/ABCG2) Inhibitors.EBI J Med Chem 62: 8578-8608 (2019) Hong Kong Polytechnic University 2D 3D TSV
31465225 28 Myxochelin- and Pseudochelin-Derived Lipoxygenase Inhibitors from a Genetically Engineered EBI J Nat Prod 82: 2544-2549 (2019) Institute for Natural Product Research and Infection Biology e.V. 2D 3D TSV
31465220 139 A Conformational Restriction Strategy for the Identification of a Highly Selective Pyrimido-pyrrolo-oxazine mTOR Inhibitor.EBI J Med Chem 62: 8609-8630 (2019) University of Basel 2D 3D TSV
31461688 108 Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.EBI Eur J Med Chem 182: (2019) University of Chinese Academy of Sciences 2D 3D TSV
31461285 1 Myrmenaphthol A, Isolated from a Hawaiian Sponge of the Genus EBI J Nat Prod 82: 2668-2671 (2019) University of Hawaii at Manoa 2D 3D TSV
31454231 2 Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-?-Lactamases.EBI J Med Chem 62: 8544-8556 (2019) University of Oxford 2D 3D TSV
31453698 97 Antioxidant-Conjugated 1,2,4-Triazolo[4,3-EBI J Med Chem 62: 8511-8531 (2019) Universit£ degli Studi di Firenze 2D 3D TSV
31449405 7 Glycocluster Tetrahydroxamic Acids Exhibiting Unprecedented Inhibition of EBI J Med Chem 62: 7722-7738 (2019) CNRS-Universit£ de Picardie Jules Verne 2D 3D TSV
31447248 4 A rational search for discovering potential neutraligands of human complement fragment 5a (EBI Bioorg Med Chem 27: (2019) Indian Institute of Technology Bhubaneswar 2D 3D TSV
31447082 9 Structural tuning of acridones for developing anticancer agents targeting dihydrofolate reductase.EBI Bioorg Med Chem Lett 29: (2019) Guru Nanak Dev University 2D 3D TSV
31446244 70 Development of novel chromeno[4,3-c]pyrazol-4(2H)-one derivates bearing sulfonylpiperazine as antitumor inhibitors targeting PI3K?.EBI Eur J Med Chem 182: (2019) School of Traditional Chinese Pharmacy 2D 3D TSV
31445854 43 Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.EBI Bioorg Med Chem Lett 29: (2019) Bristol-Myers Squibb Company 2D 3D TSV
31445853 35 Synthesis and characterization of novel isoform-selective IP6K1 inhibitors.EBI Bioorg Med Chem Lett 29: (2019) Johns Hopkins University School of Medicine 2D 3D TSV
31445234 42 Discovery of potent p38? MAPK inhibitors through a funnel like workflow combining in silico screening and in vitro validation.EBI Eur J Med Chem 182: (2019) University of Perugia 2D 3D TSV
31445233 10 Cyclic enaminone as new chemotype for selective cyclooxygenase-2 inhibitory, anti-inflammatory, and analgesic activities.EBI Eur J Med Chem 182: (2019) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
31445232 78 Design of fluorinated cyclopropane derivatives of 2-phenylcyclopropylmethylamine leading to identification of a selective serotonin 2C (5-HTEBI Eur J Med Chem 182: (2019) University of Illinois at Chicago 2D 3D TSV
31445231 56 Discovery of phosphonamidate IDO1 inhibitors for the treatment of non-small cell lung cancer.EBI Eur J Med Chem 182: (2019) Nanjing Medical University 2D 3D TSV
31445230 7 Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.EBI Eur J Med Chem 182: (2019) The University of Queensland 2D 3D TSV
31445229 9 Pyrazolo-benzothiazole hybrids: Synthesis, anticancer properties and evaluation of antiangiogenic activity using in vitro VEGFR-2 kinase and in vivo transgenic zebrafish model.EBI Eur J Med Chem 182: (2019) Academy of Scientific and Innovative Research (AcSIR) 2D 3D TSV
31444087 90 Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).EBI Bioorg Med Chem Lett 29: (2019) Zoetis 2D 3D TSV
31444085 85 The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease.EBI Bioorg Med Chem Lett 29: (2019) Guizhou Medical University 2D 3D TSV
31442685 7 Discovery of novel functionalized 1,2,4-triazoles as PARP-1 inhibitors in breast cancer: Design, synthesis and antitumor activity evaluation.EBI Eur J Med Chem 182: (2019) Suez Canal University 2D 3D TSV
31442684 43 Chromenone derivatives as a versatile scaffold with dual mode of inhibition of HIV-1 reverse transcriptase-associated Ribonuclease H function and integrase activity.EBI Eur J Med Chem 182: (2019) University of Cagliari 2D 3D TSV
31442049 39 Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-EBI J Med Chem 62: 7788-7805 (2019) Singapore-MIT Alliance for Research and Technology 2D 3D TSV
31439379 9 Design, synthesis and biological evaluation of benzamide derivatives as novel NTCP inhibitors that induce apoptosis in HepG2 cells.EBI Bioorg Med Chem Lett 29: (2019) Southwest Jiaotong University 2D 3D TSV
31437780 73 Discovery of novel series of 2-substituted benzo[d]oxazol-5-amine derivatives as multi-target directed ligands for the treatment of Alzheimer's disease.EBI Eur J Med Chem 182: (2019) Indian Institute of Technology (Banaras Hindu University) 2D 3D TSV
31437392 17 Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors.EBI J Med Chem 62: 7910-7922 (2019) Leiden University 2D 3D TSV
31436984 54 Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain.EBI J Med Chem 62: 8443-8460 (2019) Goethe-University Frankfurt 2D 3D TSV
31434616 32 Synthesis and biological evaluation of 4-(piperid-3-yl)amino substituted 6-pyridylquinazolines as potent PI3K? inhibitors.EBI Bioorg Med Chem 27: (2019) Xi'an Jiaotong University 2D 3D TSV
31434041 12 Discovery of fused heterocyclic carboxamide derivatives as novel ?7-nAChR agonists: Synthesis, preliminary SAR and biological evaluation.EBI Eur J Med Chem 182: (2019) Peking University 2D 3D TSV
31434040 3 Synthesis, structure-activity relationship and trypanocidal activity of pyrazole-imidazoline and new pyrazole-tetrahydropyrimidine hybrids as promising chemotherapeutic agents for Chagas disease.EBI Eur J Med Chem 182: (2019) Instituto Oswaldo Cruz 2D 3D TSV
31434039 5 Discovery of novel indolylarylsulfones as potent HIV-1 NNRTIs via structure-guided scaffold morphing.EBI Eur J Med Chem 182: (2019) Shandong University 2D 3D TSV
31433188 22 Cholinesterase Inhibitory Arisugacins L-Q from a EBI J Nat Prod 82: 2627-2637 (2019) Institute for Natural Products Applications and Research Technologies 2D 3D TSV
31431359 24 Correlation of indoleamine-2,3-dioxigenase 1 inhibitory activity of 4,6-disubstituted indazole derivatives and their heme binding affinity.EBI Bioorg Med Chem Lett 29: (2019) Osaka University 2D 3D TSV
31431326 63 Novel ?,?-unsaturated hydroxamic acid derivatives overcome cisplatin resistance.EBI Bioorg Med Chem 27: (2019) Heinrich-Heine-University D£sseldorf 2D 3D TSV
31430155 48 Dehydroabietylamine Ureas and Thioureas as Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Enhance the Antitumor Effect of Temozolomide on Glioblastoma Cells.EBI J Nat Prod 82: 2443-2450 (2019) Siberian Branch of the Russian Academy of Sciences 2D 3D TSV
31430136 118 2-Aminomethylene-5-sulfonylthiazole Inhibitors of Lysyl Oxidase (LOX) and LOXL2 Show Significant Efficacy in Delaying Tumor Growth.EBI J Med Chem 63: 2308-2324 (2020) University of Manchester 2D 3D TSV
31429569 4 Labdanes, Withanolides, and Other Constituents from EBI J Nat Prod 82: 2489-2500 (2019) Universidad Nacional Aut£noma de M£xico 2D 3D TSV
31429553 79 Lead Optimization Yields High Affinity Frizzled 7-Targeting Peptides That Modulate EBI J Med Chem 62: 7739-7750 (2019) TBA 2D 3D TSV
31427145 16 Synthesis, biological evaluation and molecular modeling of novel selective COX-2 inhibitors: sulfide, sulfoxide, and sulfone derivatives of 1,5-diarylpyrrol-3-substituted scaffold.EBI Bioorg Med Chem 27: (2019) Universit£ di Siena 2D 3D TSV
31425906 52 Discovery of aryl-substituted indole and indoline derivatives as ROR?t agonists.EBI Eur J Med Chem 182: (2019) Fudan University 2D 3D TSV
31423787 77 How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using EBI J Med Chem 63: 2095-2113 (2020) Johannes Gutenberg-Universit£t Mainz 2D 3D TSV
31422225 1 Galloyl esters of trans-stilbenes are inhibitors of FASN with anticancer activity on non-small cell lung cancer cells.EBI Eur J Med Chem 182: (2019) National University of Singapore 2D 3D TSV
31422224 11 Synthesis and in vitro evaluation of piperazinyl-ureido sulfamates as steroid sulfatase inhibitors.EBI Eur J Med Chem 182: (2019) University of Cagliari 2D 3D TSV
31421967 17 Design, synthesis and biological evaluation of 3,5-dimethylisoxazole and pyridone derivatives as BRD4 inhibitors.EBI Bioorg Med Chem Lett 29: (2019) Sichuan University 2D 3D TSV
31421966 20 Rasagiline derivatives combined with histamine HEBI Bioorg Med Chem Lett 29: (2019) Heinrich Heine University D£sseldorf 2D 3D TSV
31421633 8 Conformational restriction design of thiophene-biphenyl-DAPY HIV-1 non-nucleoside reverse transcriptase inhibitors.EBI Eur J Med Chem 182: (2019) Fudan University 2D 3D TSV
31421630 81 Hitting on the move: Targeting intrinsically disordered protein states of the MDM2-p53 interaction.EBI Eur J Med Chem 182: (2019) University of Groningen 2D 3D TSV
31420268 21 Discovery of small molecule inhibitors of human uridine-cytidine kinase 2 by high-throughput screening.EBI Bioorg Med Chem Lett 29: 2559-2564 (2019) Stanford University 2D 3D TSV
31420257 16 Fluorescent analogs of peptoid-based HDAC inhibitors: Synthesis, biological activity and cellular uptake kinetics.EBI Bioorg Med Chem 27: (2019) Leipzig University 2D 3D TSV
31420256 52 Identification of new dual FABP4/5 inhibitors based on a naphthalene-1-sulfonamide FABP4 inhibitor.EBI Bioorg Med Chem 27: (2019) Fudan University 2D 3D TSV
31420255 14 Discovery and development of substituted thiadiazoles as inhibitors of Staphylococcus aureus Sortase A.EBI Bioorg Med Chem 27: (2019) University of Gothenburg 2D 3D TSV
31419779 3 STING modulators: Predictive significance in drug discovery.EBI Eur J Med Chem 182: (2019) Zhejiang Normal University 2D 3D TSV
31419777 68 Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.EBI Eur J Med Chem 182: (2019) University of Florence 2D 3D TSV
31419776 14 Novel multi target-directed ligands targeting 5-HTEBI Eur J Med Chem 182: (2019) Normandie Univ 2D 3D TSV
31419141 19 Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.EBI J Med Chem 62: 11022-11034 (2019) Emory University School of Medicine 2D 3D TSV
31419132 66 First Nondiscriminating Translocator Protein Ligands Produced from a Carbazole Scaffold.EBI J Med Chem 62: 8235-8248 (2019) Macquarie University 2D 3D TSV
31419130 69 Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK).EBI J Med Chem 62: 10927-10954 (2019) Zhejiang University 2D 3D TSV
31418565 13 Synthesis and Evaluation of Novel TLR2 Agonists as Potential Adjuvants for Cancer Vaccines.EBI J Med Chem 63: 2282-2291 (2020) University of Auckland 2D 3D TSV
31417666 55 Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase C? (PKC?) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis.EBI ACS Med Chem Lett 10: 1134-1139 (2019) Vertex Pharmaceuticals Inc 2D 3D TSV
31416740 10 Design, Synthesis and Anticancer Evaluation of New Substituted Thiophene-Quinoline Derivatives.EBI Bioorg Med Chem 27: (2019) Kyushu Institute of Technology1-1 Sensuicho 2D 3D TSV
31416738 38 Synthesis, molecular docking, and QSAR study of bis-sulfonamide derivatives as potential aromatase inhibitors.EBI Bioorg Med Chem 27: (2019) Srinakharinwirot University 2D 3D TSV
31416667 24 Design and evaluation of pyrazolopyrimidines as KCNQ channel modulators.EBI Bioorg Med Chem Lett 29: (2019) AbbVie Inc. 2D 3D TSV
31416666 13 Potent HIV-1 protease inhibitors incorporating squaramide-derived P2 ligands: Design, synthesis, and biological evaluation.EBI Bioorg Med Chem Lett 29: 2565-2570 (2019) Purdue University 2D 3D TSV
31416665 31 Design of selective PI3K? inhibitors using an iterative scaffold-hopping workflow.EBI Bioorg Med Chem Lett 29: 2575-2580 (2019) Merck & Co. 2D 3D TSV
31415981 37 Discovery of ?-sultone-fused pyrazoles for treating Alzheimer's disease: Design, synthesis, biological evaluation and SAR studies.EBI Eur J Med Chem 181: (2019) Anhui Medical University 2D 3D TSV
31415980 68 Design, synthesis and preliminary bioactivity evaluations of 8-hydroxyquinoline derivatives as matrix metalloproteinase (MMP) inhibitors.EBI Eur J Med Chem 181: (2019) Shandong University 2D 3D TSV
31415176 74 Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1EBI J Med Chem 62: 7769-7787 (2019) Orexo AB 2D 3D TSV
31415174 44 Old but Gold: Tracking the New Guise of Histone Deacetylase 6 (HDAC6) Enzyme as a Biomarker and Therapeutic Target in Rare Diseases.EBI J Med Chem 63: 23-39 (2020) University of Naples Federico II 2D 3D TSV
31415173 19 Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.EBI J Med Chem 62: 7669-7683 (2019) Pfizer Inc. 2D 3D TSV
31414801 84 Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.EBI J Med Chem 62: 8557-8577 (2019) University of Illinois at Chicago 2D 3D TSV
31413811 26 Iterative Optimization of the Cyclic Peptide SFTI-1 Yields Potent Inhibitors of Neutrophil Proteinase 3.EBI ACS Med Chem Lett 10: 1234-1239 (2019) The University of Queensland 2D 3D TSV
31413810 32 Discovery of GSK2798745: A Clinical Candidate for Inhibition of Transient Receptor Potential Vanilloid 4 (TRPV4).EBI ACS Med Chem Lett 10: 1228-1233 (2019) GlaxoSmithKline 2D 3D TSV
31413809 8 DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.EBI ACS Med Chem Lett 10: 1222-1227 (2019) AstraZeneca 2D 3D TSV
31413808 16 Identification of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure-Activity Relationship Studies.EBI ACS Med Chem Lett 10: 1216-1221 (2019) University of North Carolina at Greensboro 2D 3D TSV
31413806 65 Bis-benzoxaboroles: Design, Synthesis, and Biological Evaluation as Carbonic Anhydrase Inhibitors.EBI ACS Med Chem Lett 10: 1205-1210 (2019) Universit£ de Montpellier 2D 3D TSV
31413800 36 Evaluation of a Series of ?-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads.EBI ACS Med Chem Lett 10: 1159-1165 (2019) Janssen Research & Development 2D 3D TSV
31413799 18 Malabaricone C as Natural Sphingomyelin Synthase Inhibitor against Diet-Induced Obesity and Its Lipid Metabolism in Mice.EBI ACS Med Chem Lett 10: 1154-1158 (2019) Hokkaido University 2D 3D TSV
31413796 21 Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor.EBI ACS Med Chem Lett 10: 1128-1133 (2019) Novartis Institutes for Biomedical Research 2D 3D TSV
31413795 57 Design, Synthesis, and Biological Evaluation of 2,4-Imidazolinedione Derivatives as HDAC6 Isoform-Selective Inhibitors.EBI ACS Med Chem Lett 10: 1122-1127 (2019) Shandong University 2D 3D TSV
31413794 2 Prodrug Activation by a Viral Protease: Evaluating Combretastatin Peptide Hybrids To Selectively Target Infected Cells.EBI ACS Med Chem Lett 10: 1115-1121 (2019) Heidelberg University 2D 3D TSV
31413791 12 Inhibition of ACSS2 for Treatment of Cancer and Neuropsychiatric Diseases.EBI ACS Med Chem Lett 10: 1100-1101 (2019) Usona Institute 2D 3D TSV
31413789 1 In Praise of Remarkably Powerful Centamolecular Therapeutic Agents.EBI ACS Med Chem Lett 10: 1094-1097 (2019) Bristol-Myers Squibb Research and Development 2D 3D TSV
31411468 70 Discovery of Conformationally Restricted Human Glutaminyl Cyclase Inhibitors as Potent Anti-Alzheimer's Agents by Structure-Based Design.EBI J Med Chem 62: 8011-8027 (2019) Seoul National University 2D 3D TSV
31411465 52 A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.EBI J Med Chem 62: 8028-8052 (2019) University of Copenhagen 2D 3D TSV
31408808 12 Discovery of 4-piperazinyl-2-aminopyrimidine derivatives as dual inhibitors of JAK2 and FLT3.EBI Eur J Med Chem 181: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31408806 18 Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.EBI Eur J Med Chem 181: (2019) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
31408339 28 Discovery of EBI J Med Chem 62: 8164-8177 (2019) New England Discovery Partners 2D 3D TSV
31408335 36 Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor.EBI J Med Chem 62: 9983-9989 (2019) ShanghaiTech University 2D 3D TSV
31408333 2 Germacrane Sesquiterpenoids as a New Type of Anticardiac Fibrosis Agent Targeting Transforming Growth Factor ? Type I Receptor.EBI J Med Chem 62: 7961-7975 (2019) Sun Yat-Sen University 2D 3D TSV
31407888 4 New Approaches to Cancer Therapy: Combining Fatty Acid Amide Hydrolase (FAAH) Inhibition with Peroxisome Proliferator-Activated Receptors (PPARs) Activation.EBI J Med Chem 62: 10995-11003 (2019) Universit£ degli Studi di Bari "Aldo Moro" 2D 3D TSV
31404864 11 Coumarin-containing hybrids and their anticancer activities.EBI Eur J Med Chem 181: (2019) Tsinghua University 2D 3D TSV
31404862 138 Imidazopyridine-based selective and multifunctional ligands of biological targets associated with psychiatric and neurodegenerative diseases.EBI Eur J Med Chem 181: (2019) Palack£ University 2D 3D TSV
31404860 5 Development of novel theranostic agents for in vivo amyloid imaging and protective effects on human neuroblastoma cells.EBI Eur J Med Chem 181: (2019) Guangdong University of Technology 2D 3D TSV
31403795 24 Homotrimerization Approach in the Design of Thrombospondin-1 Mimetic Peptides with Improved Potency in Triggering Regulated Cell Death of Cancer Cells.EBI J Med Chem 62: 7656-7668 (2019) Sorbonne Universit£ 2D 3D TSV
31401538 11 Synthetic routes and structure-activity relationships (SAR) of anti-HIV agents: A key review.EBI Eur J Med Chem 181: (2019) Wuhan University of Technology 2D 3D TSV
31401537 45 Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity.EBI Eur J Med Chem 181: (2019) University of Florence 2D 3D TSV
31401536 1 Phenolic N-monosubstituted carbamates: Antitubercular and toxicity evaluation of multi-targeting compounds.EBI Eur J Med Chem 181: (2019) Charles University 2D 3D TSV
31401465 52 Multi-target-directed-ligands acting as enzyme inhibitors and receptor ligands.EBI Eur J Med Chem 180: 690-706 (2019) Julius Maximilian University of W£rzburg 2D 3D TSV
31401008 34 Synthesis and biological activity of structurally diverse phthalazine derivatives: A systematic review.EBI Bioorg Med Chem 27: 3979-3997 (2019) Y. B. Chavan College of Pharmacy 2D 3D TSV
31400941 4 Discovery of 1,8-disubstituted-[1,2,3]triazolo[4,5-c]quinoline derivatives as a new class of Hippo signaling pathway inhibitors.EBI Bioorg Med Chem Lett 29: 2595-2603 (2019) Sichuan University 2D 3D TSV
31400938 15 Anti-tumor activity evaluation of novel tubulin and HDAC dual-targeting inhibitors.EBI Bioorg Med Chem Lett 29: 2638-2645 (2019) Qingdao University 2D 3D TSV
31400937 32 Exploring hydroxamic acid inhibitors of HDAC1 and HDAC2 using small molecule tools and molecular or homology modelling.EBI Bioorg Med Chem Lett 29: 2581-2586 (2019) The University of Sydney 2D 3D TSV
31400711 29 Small molecule modulators targeting protein kinase CK1 and CK2.EBI Eur J Med Chem 181: (2019) China Pharmaceutical University 2D 3D TSV
31400709 18 Identification of potent triazolylpyridine nicotinamide phosphoribosyltransferase (NAMPT) inhibitors bearing a 1,2,3-triazole tail group.EBI Eur J Med Chem 181: (2019) Universit£ del Piemonte Orientale 2D 3D TSV
31400708 26 Novel electrophilic amides amenable by the Ugi reaction perturb thioredoxin system via thioredoxin reductase 1 (TrxR1) inhibition: Identification of DVD-445 as a new lead compound for anticancer therapy.EBI Eur J Med Chem 181: (2019) University of Belgrade 2D 3D TSV
31400707 19 Design, synthesis and biological evaluation of novel vicinal diaryl-substituted 1H-Pyrazole analogues of combretastatin A-4 as highly potent tubulin polymerization inhibitors.EBI Eur J Med Chem 181: (2019) Universit£ di Ferrara 2D 3D TSV
31400706 6 Identification of a new family of pyrazolo[3,4-d]pyrimidine derivatives as multitarget Fyn-Blk-Lyn inhibitors active on B- and T-lymphoma cell lines.EBI Eur J Med Chem 181: (2019) University of Siena 2D 3D TSV
31400705 27 Discovery of benzimidazole analogs as a novel interleukin-5 inhibitors.EBI Eur J Med Chem 181: (2019) Chungnam National University 2D 3D TSV
31398032 113 A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.EBI J Med Chem 62: 7506-7525 (2019) Cellzome 2D 3D TSV
31395511 29 Structure-activity analysis of peptidic Chlamydia HtrA inhibitors.EBI Bioorg Med Chem 27: 4185-4199 (2019) University of Otago 2D 3D TSV
31395509 43 Design, synthesis and biological evaluation of novel dithiocarbamate-substituted diphenylaminopyrimidine derivatives as BTK inhibitors.EBI Bioorg Med Chem 27: 4124-4142 (2019) Peking University Health Science Center 2D 3D TSV
31394463 80 New anthranilic acid-incorporating N-benzenesulfonamidophthalimides as potent inhibitors of carbonic anhydrases I, II, IX, and XII: Synthesis, in vitro testing, and in silico assessment.EBI Eur J Med Chem 181: (2019) King Saud University 2D 3D TSV
31393718 26 Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein ?.EBI J Med Chem 62: 7874-7884 (2019) McGill University 2D 3D TSV
31393124 5 Bioactivatable Pseudotripeptidization of Cyclic Dipeptides To Increase the Affinity toward Oligopeptide Transporter 1 for Enhanced Oral Absorption: An Application to Cyclo(l-Hyp-l-Ser) (JBP485).EBI J Med Chem 62: 7708-7721 (2019) Dalian Medical University 2D 3D TSV
31390523 56 Neuroactive Steroid EBI J Med Chem 62: 7526-7542 (2019) SAGE Therapeutics 2D 3D TSV
31390201 47 Discovery of ?-Arrestin Biased, Orally Bioavailable, and CNS Penetrant Neurotensin Receptor 1 (NTR1) Allosteric Modulators.EBI J Med Chem 62: 8357-8363 (2019) Sanford Burnham Prebys Medical Discovery Institute 2D 3D TSV
31389699 30 Proteolysis Targeting Chimeras for the Selective Degradation of Mcl-1/Bcl-2 Derived from Nonselective Target Binding Ligands.EBI J Med Chem 62: 8152-8163 (2019) TBA 2D 3D TSV
31389695 47 4,8-Dimethylcoumarin Inhibitors of Intestinal Anion Exchanger slc26a3 (Downregulated in Adenoma) for Anti-Absorptive Therapy of Constipation.EBI J Med Chem 62: 8330-8337 (2019) TBA 2D 3D TSV
31387791 60 Design, synthesis, and evaluation of N-(4-(4-phenyl piperazin-1-yl)butyl)-4-(thiophen-3-yl)benzamides as selective dopamine DEBI Bioorg Med Chem Lett 29: 2690-2694 (2019) Temple University School of Pharmacy 2D 3D TSV
31387063 32 Design, synthesis and biological evaluation of novel 4-anilinoquinazoline derivatives as hypoxia-selective EGFR and VEGFR-2 dual inhibitors.EBI Eur J Med Chem 181: (2019) Peking Union Medical College & Chinese Academy of Medical Sciences 2D 3D TSV
31387062 39 A computer-assisted discovery of novel potential anti-obesity compounds as selective carbonic anhydrase VA inhibitors.EBI Eur J Med Chem 181: (2019) "Magna Gr£cia" University of Catanzaro 2D 3D TSV
31386368 27 HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.EBI J Med Chem 62: 8062-8079 (2019) University of Massachusetts Medical School 2D 3D TSV
31386363 32 Synthesis and SAR Study of Carbamoyl Pyridone Bicycle Derivatives as Potent Inhibitors of Influenza Cap-dependent Endonuclease.EBI J Med Chem 62: 8101-8114 (2019) Shionogi & Company 2D 3D TSV
31385706 9 The Development Process for Discovery and Clinical Advancement of Modern Antimalarials.EBI J Med Chem 62: 10526-10562 (2019) The Walter and Eliza Hall Institute of Medical Research 2D 3D TSV
31385511 20 11-Aminostrychnine and EBI J Nat Prod 82: 2332-2336 (2019) The German University in Cairo 2D 3D TSV
31383629 29 Preparation and biological evaluation of soluble tetrapeptide epoxyketone proteasome inhibitors.EBI Bioorg Med Chem 27: 4151-4162 (2019) Nanjing Forestry University 2D 3D TSV
31383628 42 Novel multitarget 5-arylidenehydantoins with arylpiperazinealkyl fragment: Pharmacological evaluation and investigation of cytotoxicity and metabolic stability.EBI Bioorg Med Chem 27: 4163-4173 (2019) Jagiellonian University Medical College 2D 3D TSV
31383589 6 Incorporation of a chiral gem-disubstituted nitrogen heterocycle yields an oxazolidinone antibiotic with reduced mitochondrial toxicity.EBI Bioorg Med Chem Lett 29: 2686-2689 (2019) California Institute of Technology 2D 3D TSV
31383587 20 Discovery of novel PTHR1 antagonists: Design, synthesis, and structure activity relationships.EBI Bioorg Med Chem Lett 29: 2613-2616 (2019) Daiichi Sankyo Co, Ltd 2D 3D TSV
31382120 4 Novel dual inhibitors targeting CDK4 and VEGFR2 synergistically suppressed cancer progression and angiogenesis.EBI Eur J Med Chem 181: (2019) Nankai University 2D 3D TSV
31382119 45 Novel reverse thia-analogs of fosmidomycin: Synthesis and antiplasmodial activity.EBI Eur J Med Chem 181: (2019) Heinrich Heine University D£sseldorf 2D 3D TSV
31382118 15 Synthesis, biological evaluation, and docking studies of new raloxifene sulfonate or sulfamate derivatives as inhibitors of nucleotide pyrophosphatase/phosphodiesterase.EBI Eur J Med Chem 181: (2019) University of Sharjah 2D 3D TSV
31381853 124 Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.EBI J Med Chem 62: 7897-7909 (2019) Merck Healthcare KGaA 2D 3D TSV
31381333 302 Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.EBI J Med Chem 62: 7923-7940 (2019) TBA 2D 3D TSV
31381331 70 Profile of a Highly Selective Quaternized Pyrrolidine Betaine ?EBI J Med Chem 62: 7543-7556 (2019) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
31381325 46 Discovery of Inhibitors of Aurora/PLK Targets as Anticancer Agents.EBI J Med Chem 62: 7697-7707 (2019) Chengdu University 2D 3D TSV
31378596 25 Microwave-Assisted Organic Synthesis, structure-activity relationship, kinetics and molecular docking studies of non-cytotoxic benzamide derivatives as selective butyrylcholinesterase inhibitors.EBI Bioorg Med Chem 27: 4030-4040 (2019) University of Karachi 2D 3D TSV
31378593 54 Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).EBI Bioorg Med Chem 27: 4013-4029 (2019) Vrije Universiteit Amsterdam 2D 3D TSV
31377035 16 Applications of amide isosteres in medicinal chemistry.EBI Bioorg Med Chem Lett 29: 2535-2550 (2019) Xenon Pharmaceuticals Inc 2D 3D TSV
31376568 28 Targeting the subpocket in xanthine oxidase: Design, synthesis, and biological evaluation of 2-[4-alkoxy-3-(1H-tetrazol-1-yl) phenyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid derivatives.EBI Eur J Med Chem 181: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31376566 19 Novel cyclin-dependent kinase 9 (CDK9) inhibitor with suppression of cancer stemness activity against non-small-cell lung cancer.EBI Eur J Med Chem 181: (2019) Nankai University 2D 3D TSV
31376564 13 Cinnamamide: An insight into the pharmacological advances and structure-activity relationships.EBI Eur J Med Chem 181: (2019) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
31376563 7 Design, synthesis and anti-inflammatory evaluation of 3-amide benzoic acid derivatives as novel P2YEBI Eur J Med Chem 181: (2019) China Pharmaceutical University 2D 3D TSV
31376562 122 Tacrine-O-protected phenolics heterodimers as multitarget-directed ligands against Alzheimer's disease: Selective subnanomolar BuChE inhibitors.EBI Eur J Med Chem 181: (2019) Universidad de Sevilla 2D 3D TSV
31375290 16 Essential structure of orexin 1 receptor antagonist YNT-707, Part IV: The role of D-ring in 4,5-epoxymorphinan on the orexin 1 receptor antagonistic activity.EBI Bioorg Med Chem Lett 29: 2655-2658 (2019) University of Tsukuba 2D 3D TSV
31371135 1 Incorporation of privileged structures into 3-O-?-chacotriosyl ursolic acid can enhance inhibiting the entry of the H5N1 virus.EBI Bioorg Med Chem Lett 29: 2675-2680 (2019) South China Agricultural University 2D 3D TSV
31369933 24 Design, synthesis and biological evaluation of 2-(4-alkoxy-3-cyano)phenyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid derivatives as novel xanthine oxidase inhibitors.EBI Eur J Med Chem 181: (2019) Shenyang Pharmaceutical University 2D 3D TSV
31369707 13 Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF.EBI J Med Chem 62: 7684-7696 (2019) University of Alberta 2D 3D TSV
31368705 57 Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.EBI J Med Chem 62: 7643-7655 (2019) Merck KGaA 2D 3D TSV
31365252 87 Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) Inhibitor EBI J Med Chem 62: 7976-7997 (2019) Boehringer Ingelheim RCV GmbH & Co. KG 2D 3D TSV
31365251 25 Ophiobolin-Type Sesterterpenoids from the Mangrove Endophytic Fungus EBI J Nat Prod 82: 2268-2278 (2019) Sun Yat-sen University 2D 3D TSV
31362922 7 Synthesis and biological evaluation of 7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-benzo[e]indazoles as new colchicine site inhibitors.EBI Bioorg Med Chem Lett 29: 2632-2634 (2019) Second Military Medical University 2D 3D TSV
31362921 62 A fragment-like approach to PYCR1 inhibition.EBI Bioorg Med Chem Lett 29: 2626-2631 (2019) University of Strathclyde 2D 3D TSV
31362920 36 Synthesis and evaluation of 2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione derivatives as Mnk inhibitors.EBI Bioorg Med Chem Lett 29: 2650-2654 (2019) University of South Australia 2D 3D TSV
31362919 67 Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E synthase-1 for the treatment of endometriosis.EBI Bioorg Med Chem Lett 29: 2700-2705 (2019) Bayer AG 2D 3D TSV
31361481 23 Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles.EBI J Med Chem 62: 9418-9437 (2019) AstraZeneca 2D 3D TSV
31361135 17 Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?EBI J Med Chem 62: 10497-10525 (2019) University of S£o Paulo 2D 3D TSV
31358468 21 Further exploration of an N-aryl phenoxyethoxy pyridinone-based series of mGluEBI Bioorg Med Chem Lett 29: 2670-2674 (2019) Vanderbilt University 2D 3D TSV
31358467 10 Design, synthesis and evaluation of biphenyl imidazole analogues as potent antifungal agents.EBI Bioorg Med Chem Lett 29: 2448-2451 (2019) Shenyang Pharmaceutical University 2D 3D TSV
31358465 9 Towards multi-target antidiabetic agents: Discovery of biphenyl-benzimidazole conjugates as AMPK activators.EBI Bioorg Med Chem Lett 29: 2443-2447 (2019) Volgograd State Medical University 2D 3D TSV
31358358 5 Identification of new aryl hydrocarbon receptor (AhR) antagonists using a zebrafish model.EBI Bioorg Med Chem 27: (2019) Gwangju Institute of Science and Technology 2D 3D TSV
31357129 61 Synthesis, pharmacological and structural studies of 5-substituted-3-(1-arylmethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles as multi-target ligands of aminergic GPCRs.EBI Eur J Med Chem 180: 673-689 (2019) Medical University of Lublin 2D 3D TSV
31352246 67 Triazole derivatives as inhibitors of Alzheimer's disease: Current developments and structure-activity relationships.EBI Eur J Med Chem 180: 656-672 (2019) Wuhan Institute of Technology 2D 3D TSV
31352245 6 Synthesis and biological evaluation of moxifloxacin-acetyl-1,2,3-1H-triazole-methylene-isatin hybrids as potential anti-tubercular agents against both drug-susceptible and drug-resistant Mycobacterium tuberculosis strains.EBI Eur J Med Chem 180: 648-655 (2019) Medical School of Nanjing University 2D 3D TSV
31351847 35 Peptide derivatives as inhibitors of NS2B-NS3 protease from Dengue, West Nile, and Zika flaviviruses.EBI Bioorg Med Chem 27: 3963-3978 (2019) Federal University of Alagoas 2D 3D TSV
31351846 2 Molecular modelling, synthesis, and biological evaluations of a 3,5-disubstituted isoxazole fatty acid analogue as a PPAR?-selective agonist.EBI Bioorg Med Chem 27: 4059-4068 (2019) University of Oslo 2D 3D TSV
31351692 14 Symmetry-based ligand design and evaluation of small molecule inhibitors of programmed cell death-1/programmed death-ligand 1 interaction.EBI Bioorg Med Chem Lett 29: 2464-2467 (2019) Japan Tobacco Inc. 2D 3D TSV
31351395 13 Protective effect of piceatannol and bioactive stilbene derivatives against hypoxia-induced toxicity in H9c2 cardiomyocytes and structural elucidation as 5-LOX inhibitors.EBI Eur J Med Chem 180: 637-647 (2019) University of Campania "L. Vanvitelli" 2D 3D TSV
31351394 7 Expedient assembly of Oligo-LacNAcs by a sugar nucleotide regeneration system: Finding the role of tandem LacNAc and sialic acid position towards siglec binding.EBI Eur J Med Chem 180: 627-636 (2019) National Tsing-Hua University 2D 3D TSV
31351393 17 A novel class of multitarget anti-Alzheimer benzohomoadamantane?chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors.EBI Eur J Med Chem 180: 613-626 (2019) University of Barcelona 2D 3D TSV
31350154 1 Structure-aided optimization of 3-O-?-chacotriosyl ursolic acid as novel H5N1 entry inhibitors with high selective index.EBI Bioorg Med Chem 27: 4048-4058 (2019) South China Agricultural University 2D 3D TSV
31350127 5 Comparative analysis of stilbene and benzofuran neolignan derivatives as acetylcholinesterase inhibitors with neuroprotective and anti-inflammatory activities.EBI Bioorg Med Chem Lett 29: 2475-2479 (2019) Gifu University 2D 3D TSV
31350126 105 Novel SAR for quinazoline inhibitors of EHMT1 and EHMT2.EBI Bioorg Med Chem Lett 29: 2516-2524 (2019) Mercachem BV 2D 3D TSV
31345748 37 Sulfonate and sulfamate derivatives possessing benzofuran or benzothiophene nucleus as potent carbonic anhydrase II/IX/XII inhibitors.EBI Bioorg Med Chem 27: 3889-3901 (2019) University of Sharjah 2D 3D TSV
31345747 29 COX-1/COX-2 inhibition activities and molecular docking study of newly designed and synthesized pyrrolo[3,4-c]pyrrole Mannich bases.EBI Bioorg Med Chem 27: 3918-3928 (2019) Wroclaw Medical University 2D 3D TSV
31345745 2 Rational modification of Mannich base-type derivatives as novel antichagasic compounds: Synthesis, in vitro and in vivo evaluation.EBI Bioorg Med Chem 27: 3902-3917 (2019) Universidad de Navarra 2D 3D TSV
31345633 3 Discovery of human lactate dehydrogenase 5 inhibitors (hLDH5) with anti-lung cancer activity through an in silico method and biological validation.EBI Bioorg Med Chem Lett 29: 2459-2463 (2019) The 5th Affiliated Hospital of Shenzhen University Health Science Center 2D 3D TSV
31344615 9 An insight into the medicinal perspective of synthetic analogs of indole: A review.EBI Eur J Med Chem 180: 562-612 (2019) ISF College of Pharmacy 2D 3D TSV
31344613 25 Cell-active carbazole derivatives as inhibitors of the zika virus protease.EBI Eur J Med Chem 180: 536-545 (2019) University of Patras 2D 3D TSV
31343875 34 Synthesis and Structure-Activity Relationship Correlations of Gnidimacrin Derivatives as Potent HIV-1 Inhibitors and HIV Latency Reversing Agents.EBI J Med Chem 62: 6958-6971 (2019) Toho University 2D 3D TSV
31343176 72 Design, Synthesis, and Biological Characterization of Orally Active 17?-Hydroxysteroid Dehydrogenase Type 2 Inhibitors Targeting the Prevention of Osteoporosis.EBI J Med Chem 62: 7289-7301 (2019) ElexoPharm GmbH 2D 3D TSV
31343173 1 Identification of ?-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4.EBI J Nat Prod 82: 2252-2261 (2019) Jamia Millia Islamia University 2D 3D TSV
31339316 98 Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.EBI J Med Chem 62: 6913-6924 (2019) Servier Research Institute of Medicinal Chemistry 2D 3D TSV
31336309 68 Rapid generation of novel benzoic acid-based xanthine derivatives as highly potent, selective and long acting DPP-4 inhibitors: Scaffold-hopping and prodrug study.EBI Eur J Med Chem 180: 509-523 (2019) Guangxi Medical University 2D 3D TSV
31335138 56 Discovery and Development of a Series of Pyrazolo[3,4-EBI J Med Chem 62: 7473-7488 (2019) Shanghai University 2D 3D TSV
31335136 29 Discovery of 4-Methylquinazoline Based PI3K Inhibitors for the Potential Treatment of Idiopathic Pulmonary Fibrosis.EBI J Med Chem 62: 8873-8879 (2019) TBA 2D 3D TSV
31331653 16 5-Lipoxygenase as a drug target: A review on trends in inhibitors structural design, SAR and mechanism based approach.EBI Bioorg Med Chem 27: 3745-3759 (2019) School of Advanced Sciences 2D 3D TSV
31330449 9 Role of sulphur-heterocycles in medicinal chemistry: An update.EBI Eur J Med Chem 180: 486-508 (2019) Maharaja Ranjit Singh Punjab Technical University 2D 3D TSV
31330446 13 Potently inhibiting cancer cell migration with novel 3H-pyrazolo[4,3-f]quinoline boronic acid ROCK inhibitors.EBI Eur J Med Chem 180: 449-456 (2019) Purdue University 2D 3D TSV
31327679 57 Design, synthesis, biological evaluation of benzoyl amide derivatives containing nitrogen heterocyclic ring as potential VEGFR-2 inhibitors.EBI Bioorg Med Chem 27: 3813-3824 (2019) Zhengzhou Children's Hospital 2D 3D TSV
31327678 33 Discovery of a novel orally active TRPV4 inhibitor: Part 1. Optimization from an HTS hit.EBI Bioorg Med Chem 27: 3775-3787 (2019) Astellas Pharma Inc. 2D 3D TSV
31327677 9 Identification and characterization of the first fragment hits for SETDB1 Tudor domain.EBI Bioorg Med Chem 27: 3866-3878 (2019) University of Toronto 2D 3D TSV
31327675 34 Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors.EBI Bioorg Med Chem 27: 3998-4012 (2019) Vrije Universiteit Amsterdam 2D 3D TSV
31327531 35 Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.EBI Bioorg Med Chem Lett 29: 2503-2510 (2019) Meyer Cancer Center 2D 3D TSV
31326599 21 An overview on chemical structures as ?F508-CFTR correctors.EBI Eur J Med Chem 180: 430-448 (2019) University of Palermo 2D 3D TSV
31326342 8 Urea moiety as amide bond mimetic in peptide-like inhibitors of VEGF-AEBI Bioorg Med Chem Lett 29: 2493-2497 (2019) University of Warsaw 2D 3D TSV
31325786 48 Design, synthesis and biological evaluation of 6-deoxy O-spiroketal C-arylglucosides as novel renal sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes.EBI Eur J Med Chem 180: 398-416 (2019) Chinese Academy of Sciences 2D 3D TSV
31325785 92 Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HTEBI Eur J Med Chem 180: 383-397 (2019) Medical University of Warsaw 2D 3D TSV
31325784 15 Design, synthesis and biological evaluation of hydroxypyridinone-coumarin hybrids as multimodal monoamine oxidase B inhibitors and iron chelates against Alzheimer's disease.EBI Eur J Med Chem 180: 367-382 (2019) Zhejiang University 2D 3D TSV
31325783 34 Design, synthesis and biological evaluation of chalcones as reversers of P-glycoprotein-mediated multidrug resistance.EBI Eur J Med Chem 180: 350-366 (2019) East China University of Science and Technology 2D 3D TSV
31324565 12 Total synthesis of dryocrassin ABBA and its analogues with potential inhibitory activity against drug-resistant neuraminidases.EBI Bioorg Med Chem 27: 3846-3852 (2019) Chinese Academy of Sciences 2D 3D TSV
31324562 24 Design, synthesis and biological evaluation of 3-hydroxyquinazoline-2,4(1H,3H)-diones as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and integrase.EBI Bioorg Med Chem 27: 3836-3845 (2019) Shandong University 2D 3D TSV
31324513 2 Design and synthesis of biotinylated Hexylselen as a probe to identify KGA allosteric inhibitors by a convenient biomolecular interaction assay.EBI Bioorg Med Chem Lett 29: 2498-2502 (2019) Zhejiang University 2D 3D TSV
31320211 15 The parmodulin NRD-21 is an allosteric inhibitor of PAR1 Gq signaling with improved anti-inflammatory activity and stability.EBI Bioorg Med Chem 27: 3788-3796 (2019) Marquette University 2D 3D TSV
31320147 22 Structural development of 1H-pyrazolo-[3,4-b]pyridine-4-carboxylic acid derivatives as human peroxisome proliferator-activated receptor alpha (PPAR?)-selective agonists.EBI Bioorg Med Chem Lett 29: 2124-2128 (2019) Okayama University 2D 3D TSV
31319265 62 Strategies to develop selective CBEBI Eur J Med Chem 180: 291-309 (2019) The University of Sydney 2D 3D TSV
31319263 49 Discovery of new potent dual sigma receptor/GluN2b ligands with antioxidant property as neuroprotective agents.EBI Eur J Med Chem 180: 268-282 (2019) University of Trieste 2D 3D TSV
31318208 123 Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.EBI J Med Chem 62: 8973-8995 (2019) TBA 2D 3D TSV
31317731 3 Naturally Occurring Lumazines.EBI J Nat Prod 82: 2054-2065 (2019) University of Auckland 2D 3D TSV
31314518 356 Identification of EBI J Med Chem 62: 8953-8972 (2019) TBA 2D 3D TSV
31312413 75 Synthesis and Biological Activity of Peptide ?-Ketoamide Derivatives as Proteasome Inhibitors.EBI ACS Med Chem Lett 10: 1086-1092 (2019) University of Ferrara 2D 3D TSV
31312412 12 Targeting IRAK4 for Degradation with PROTACs.EBI ACS Med Chem Lett 10: 1081-1085 (2019) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
31312411 15 Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases.EBI ACS Med Chem Lett 10: 1074-1080 (2019) University of Southern California 2D 3D TSV
31312410 24 Discovery of a Novel Selective Dual Peroxisome Proliferator-Activated Receptor ?/? Agonist for the Treatment of Primary Biliary Cirrhosis.EBI ACS Med Chem Lett 10: 1068-1073 (2019) WuXi AppTec (Shanghai) Co., Ltd 2D 3D TSV
31312409 17 Antioxidant, Anti-inflammatory, and Neuroprotective Effects of Novel Vinyl Sulfonate Compounds as Nrf2 Activator.EBI ACS Med Chem Lett 10: 1061-1067 (2019) Korea Institute of Science and Technology (KIST) 2D 3D TSV
31312408 49 Development of Highly Selective Pyrimidine-Based Aldosterone Synthase (CYP11B2) Inhibitors.EBI ACS Med Chem Lett 10: 1056-1060 (2019) Selenity Therapeutics 2D 3D TSV
31312405 34 DL5050, a Selective Agonist for the Human Constitutive Androstane Receptor.EBI ACS Med Chem Lett 10: 1039-1044 (2019) University of Maryland 2D 3D TSV
31312404 14 Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors.EBI ACS Med Chem Lett 10: 1033-1038 (2019) Prelude Therapeutics 2D 3D TSV
31312402 10 Treatment of Cancers by Inhibition of Isoprenylcysteine Carboxyl Methyltransferase.EBI ACS Med Chem Lett 10: 1024-1025 (2019) Usona Institute 2D 3D TSV
31311734 30 Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.EBI Bioorg Med Chem Lett 29: 2090-2093 (2019) Genentech Inc. 2D 3D TSV
31311700 10 Phenylhydrazides as inhibitors of Leishmania amazonensis arginase and antileishmanial activity.EBI Bioorg Med Chem 27: 3853-3859 (2019) Universidade Federal do Rio de Janeiro 2D 3D TSV
31310916 37 Design, synthesis, in-silico and biological evaluation of novel chalcone derivatives as multi-function agents for the treatment of Alzheimer's disease.EBI Eur J Med Chem 180: 238-252 (2019) Nanyang Normal University 2D 3D TSV
31310125 83 2-Amino-2,3-dihydro-1EBI J Med Chem 62: 7431-7444 (2019) Jinan University 2D 3D TSV
31307888 15 Tapping the therapeutic potential of protein tyrosine phosphatase 4A with small molecule inhibitors.EBI Bioorg Med Chem Lett 29: 2008-2015 (2019) University of Pittsburgh 2D 3D TSV
31307887 64 Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.EBI Bioorg Med Chem Lett 29: 2294-2301 (2019) Genentech 2D 3D TSV
31307763 1 Identification of a potent small-molecule inhibitor of bacterial DNA repair that potentiates quinolone antibiotic activity in methicillin-resistant Staphylococcus aureus.EBI Bioorg Med Chem 27: (2019) Imperial College London 2D 3D TSV
31306906 2 2-(phenylthio)ethylidene derivatives as anti-Trypanosoma cruzi compounds: Structural design, synthesis and antiparasitic activity.EBI Eur J Med Chem 180: 191-203 (2019) Universidade de Pernambuco 2D 3D TSV
31306905 42 Design, synthesis, and biological evaluation of a new class of histone acetyltransferase p300 inhibitors.EBI Eur J Med Chem 180: 171-190 (2019) Fudan University 2D 3D TSV
31306818 19 Evolution in medicinal chemistry of sorafenib derivatives for hepatocellular carcinoma.EBI Eur J Med Chem 179: 916-935 (2019) Fuzhou University 2D 3D TSV
31306011 15 Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.EBI J Med Chem 62: 7489-7505 (2019) Achaogen Inc. 2D 3D TSV
31306009 64 Cyclization of RGD Peptides by Suzuki-Miyaura Cross-Coupling.EBI J Med Chem 62: 7417-7430 (2019) Bielefeld University 2D 3D TSV
31306001 117 Modifications on the Amino-3,5-dicyanopyridine Core To Obtain Multifaceted Adenosine Receptor Ligands with Antineuropathic Activity.EBI J Med Chem 62: 6894-6912 (2019) Universit£ degli Studi di Firenze 2D 3D TSV
31303386 35 Synthesis and biological evaluation of novel benzo[c][1,2,5]thiadiazol-5-yl and thieno[3,2-c]- pyridin-2-yl imidazole derivatives as ALK5 inhibitors.EBI Bioorg Med Chem Lett 29: 2070-2075 (2019) Yanbian University 2D 3D TSV
31302448 197 Structure-activity relationships of thiazole and benzothiazole derivatives as selective cannabinoid CB2 agonists with in vivo anti-inflammatory properties.EBI Eur J Med Chem 180: 154-170 (2019) German University in Cairo 2D 3D TSV
31301950 71 Functionalized 6-(piperidin-1-yl)-8,9-diphenyl purines as inverse agonists of the CB1 receptor - SAR efforts towards selectivity and peripheralization.EBI Bioorg Med Chem 27: 3632-3649 (2019) RTI International 2D 3D TSV
31301949 25 Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.EBI Bioorg Med Chem 27: 3692-3706 (2019) Astellas Pharma Inc. 2D 3D TSV
31301948 2 Synthesis, pharmacological evaluation, and mechanistic study of adefovir mixed phosphonate derivatives bearing cholic acid and l-amino acid moieties for the treatment of HBV.EBI Bioorg Med Chem 27: 3707-3721 (2019) Guizhou Medical University 2D 3D TSV
31301931 1 Synthesis of peptidomimetics and chemo-biological tools for CD95/PLC?1 interaction analysis.EBI Bioorg Med Chem Lett 29: 2094-2099 (2019) CLCC Eug�ne Marquis, INSERM, Univ Rennes 1, UMR1242, rue Bataille Flandres Dunkerque, 35042 Rennes, France; Equipe Ligue Contre Le Cancer, rue Bataille Flandres Dunkerque, 35042 Rennes, France. 2D 3D TSV
31301567 3 Discovery, synthesis, and in vitro evaluation of a novel bioactive peptide for ACE and DPP-IV inhibitory activity.EBI Eur J Med Chem 180: 99-110 (2019) University of Mysore 2D 3D TSV
31301566 16 Design of balanced COX inhibitors based on anti-inflammatory and/or COX-2 inhibitory ascidian metabolites.EBI Eur J Med Chem 180: 86-98 (2019) Pusan National University 2D 3D TSV
31301565 20 Discovery of pyrazole-thiophene derivatives as highly Potent, orally active Akt inhibitors.EBI Eur J Med Chem 180: 72-85 (2019) Hangzhou Institute of Innovative Medicine 2D 3D TSV
31301562 8 Merging memantine and ferulic acid to probe connections between NMDA receptors, oxidative stress and amyloid-? peptide in Alzheimer's disease.EBI Eur J Med Chem 180: 111-120 (2019) Alma Mater Studiorum - University of Bologna 2D 3D TSV
31300342 8 A new approach to procyanidins synthesis with potent anti-adipogenic effects.EBI Bioorg Med Chem Lett 29: 2079-2084 (2019) Daegu University 2D 3D TSV
31300317 14 1,2,3-Triazole-containing hybrids as leads in medicinal chemistry: A recent overview.EBI Bioorg Med Chem 27: 3511-3531 (2019) Chinese Academy of Sciences 2D 3D TSV
31300316 1 Development of novel lithocholic acid derivatives as vitamin D receptor agonists.EBI Bioorg Med Chem 27: 3674-3681 (2019) Tokyo Medical and Dental University 2D 3D TSV
31299587 56 Novel N-aryl nicotinamide derivatives: Taking stock on 3,6-diazabicyclo[3.1.1]heptanes as ligands for neuronal acetylcholine receptors.EBI Eur J Med Chem 180: 51-61 (2019) Universit£ di Sassari 2D 3D TSV
31299586 12 Design, synthesis, biological evaluation and docking study of novel indole-2-amide as anti-inflammatory agents with dual inhibition of COX and 5-LOX.EBI Eur J Med Chem 180: 41-50 (2019) Anhui University of Chinese Medicine 2D 3D TSV
31299584 32 Design, synthesis, and antifibrosis evaluation of 4-(benzo-[c][1,2,5]thiadiazol-5-yl)-3(5)-(6-methyl- pyridin-2-yl)pyrazole and 3(5)-(6-methylpyridin- 2-yl)-4-(thieno-[3,2,-c]pyridin-2-yl)pyrazole derivatives.EBI Eur J Med Chem 180: 15-27 (2019) Yanbian University 2D 3D TSV
31298548 112 Probing the Existence of a Metastable Binding Site at the ?EBI J Med Chem 62: 7806-7839 (2019) University of Copenhagen 2D 3D TSV
31298542 108 Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design.EBI J Med Chem 62: 7264-7288 (2019) Chinese Academy of Sciences 2D 3D TSV
31298541 20 Design, Synthesis, Evaluation, and Structural Studies of EBI J Med Chem 62: 7250-7263 (2019) Jagiellonian University 2D 3D TSV
31298540 52 Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFREBI J Med Chem 62: 7302-7308 (2019) Jinan University 2D 3D TSV
31298539 18 Design, Synthesis, and Characterization of Ogerin-Based Positive Allosteric Modulators for G Protein-Coupled Receptor 68 (GPR68).EBI J Med Chem 62: 7557-7574 (2019) Icahn School of Medicine at Mount Sinai 2D 3D TSV
31298537 2 Exploring the Natural Piericidins as Anti-Renal Cell Carcinoma Agents Targeting Peroxiredoxin 1.EBI J Med Chem 62: 7058-7069 (2019) Chinese Academy of Sciences 2D 3D TSV
31296439 35 Synthesis and biological evaluation of 1-alkylaminomethyl-1,1-bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii.EBI Bioorg Med Chem 27: 3663-3673 (2019) Universidad de Buenos Aires 2D 3D TSV
31296357 1 Oxadiazole scaffolds in anti-tuberculosis drug discovery.EBI Bioorg Med Chem Lett 29: 1999-2007 (2019) Institute of Chemical Technology 2D 3D TSV
31294975 38 Discovery of Novel Naphthylphenylketone and Naphthylphenylamine Derivatives as Cell Division Cycle 25B (CDC25B) Phosphatase Inhibitors: Design, Synthesis, Inhibition Mechanism, and in Vitro Efficacy against Melanoma Cell Lines.EBI J Med Chem 62: 7089-7110 (2019) University of Naples Federico II 2D 3D TSV
31294974 62 Mechanistic Insight on the Mode of Action of Colletoic Acid.EBI J Med Chem 62: 6925-6940 (2019) The University of Tennessee Health Science Center 2D 3D TSV
31291098 136 Development of Dual Chitinase Inhibitors as Potential New Treatment for Respiratory System Diseases.EBI J Med Chem 62: 7126-7145 (2019) OncoArendi Therapeutics SA 2D 3D TSV
31288978 29 Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, ?-amyloid aggregation and oxidative stress to treat Alzheimer's disease.EBI Bioorg Med Chem 27: 3650-3662 (2019) Indian Institute of Technology (Banaras Hindu University) 2D 3D TSV
31288965 25 Optimization of oxadiazole derivatives with a spirocyclic cyclohexane structure as novel GPR119 agonists.EBI Bioorg Med Chem Lett 29: 2100-2106 (2019) Japan Tobacco Inc. 2D 3D TSV
31288149 8 A new series of bicalutamide, enzalutamide and enobosarm derivatives carrying pentafluorosulfanyl (SFEBI Eur J Med Chem 180: 1-14 (2019) Cardiff University 2D 3D TSV
31288128 6 Boron in drug design: Recent advances in the development of new therapeutic agents.EBI Eur J Med Chem 179: 791-804 (2019) S£o Paulo State University 2D 3D TSV
31288127 10 Antifungal activity, mode of action variability, and subcellular distribution of coumarin-based antifungal azoles.EBI Eur J Med Chem 179: 779-790 (2019) Tel Aviv University 2D 3D TSV
31287314 52 Synthesis and Evaluation of Carbonic Anhydrase Inhibitors with Carbon Monoxide Releasing Properties for the Management of Rheumatoid Arthritis.EBI J Med Chem 62: 7233-7249 (2019) Universit£ degli Studi di Firenze 2D 3D TSV
31285097 14 Biological evaluation of molecules of the azaBINOL class as antiviral agents: Inhibition of HIV-1 RNase H activity by 7-isopropoxy-8-(naphth-1-yl)quinoline.EBI Bioorg Med Chem 27: 3595-3604 (2019) Oregon State University 2D 3D TSV
31284084 3 Identification and characterization of a novel chemotype for human TLR8 inhibitors.EBI Eur J Med Chem 179: 744-752 (2019) Freie Universit£t Berlin 2D 3D TSV
31284081 60 Novel potent substituted 4-amino-2-thiopyrimidines as dual VEGFR-2 and BRAF kinase inhibitors.EBI Eur J Med Chem 179: 707-722 (2019) National Research Centre 2D 3D TSV
31283229 41 Discovery of a Potent Kelch-Like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Protein-Protein Interaction Inhibitor with Natural Proline Structure as a Cytoprotective Agent against Acetaminophen-Induced Hepatotoxicity.EBI J Med Chem 62: 6796-6813 (2019) China Pharmaceutical University 2D 3D TSV
31283227 72 Discovery of 3-Oxabicyclo[4.1.0]heptane, a Non-nitrogen Containing Morpholine Isostere, and Its Application in Novel Inhibitors of the PI3K-AKT-mTOR Pathway.EBI J Med Chem 62: 6972-6984 (2019) GlaxoSmithKline R&D 2D 3D TSV
31283223 20 Novel and Selective TLR7 Antagonists among the Imidazo[1,2-EBI J Med Chem 62: 7015-7031 (2019) Universit£ de Montpellier 2D 3D TSV
31283217 8 Linear and Rationally Designed Stapled Peptides Abrogate TLR4 Pathway and Relieve Inflammatory Symptoms in Rheumatoid Arthritis Rat Model.EBI J Med Chem 62: 6495-6511 (2019) Ajou University 2D 3D TSV
31282155 21 3-[(1EBI J Med Chem 62: 6876-6893 (2019) Peloton Therapeutics, Inc. 2D 3D TSV
31281023 3 Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.EBI Bioorg Med Chem Lett 29: 2182-2188 (2019) Yale University 2D 3D TSV
31281021 18 Synthesis and evaluation of tetrahydropyrazolopyridine inhibitors of anion exchange protein SLC26A4 (pendrin).EBI Bioorg Med Chem Lett 29: 2119-2123 (2019) University of California 2D 3D TSV
31281020 39 Dual functional cholinesterase and PDE4D inhibitors for the treatment of Alzheimer's disease: Design, synthesis and evaluation of tacrine-pyrazolo[3,4-b]pyridine hybrids.EBI Bioorg Med Chem Lett 29: 2150-2152 (2019) Sun Yat-sen University 2D 3D TSV
31280999 29 2-Aryladenine derivatives as a potent scaffold for AEBI Bioorg Med Chem 27: 3551-3558 (2019) Universidade do Minho 2D 3D TSV
31280020 33 Novel N-benzylpiperidine carboxamide derivatives as potential cholinesterase inhibitors for the treatment of Alzheimer's disease.EBI Eur J Med Chem 179: 680-693 (2019) University of Pretoria 2D 3D TSV
31279524 53 Design, synthesis, and in vitro bioactivity evaluation of fluorine-containing analogues for sphingosine-1-phosphate 2 receptor.EBI Bioorg Med Chem 27: 3619-3631 (2019) Washington University 2D 3D TSV
31279294 29 Design, synthesis and biological evaluation of novel FFA1/GPR40 agonists: New breakthrough in an old scaffold.EBI Eur J Med Chem 179: 608-622 (2019) China Pharmaceutical University 2D 3D TSV
31279292 3 Synthesis and biological evaluation of hybrid quinolone-based quaternary ammonium antibacterial agents.EBI Eur J Med Chem 179: 576-590 (2019) Medical University of Gdansk 2D 3D TSV
31278031 2 Styryl quinazolinones and its ethynyl derivatives induce myeloid differentiation.EBI Bioorg Med Chem Lett 29: 2286-2289 (2019) National University of Singapore 2D 3D TSV
31276900 15 Identification of ebselen as a potent inhibitor of insulin degrading enzyme by a drug repurposing screening.EBI Eur J Med Chem 179: 557-566 (2019) Univ. Lille 2D 3D TSV
31276899 63 Application of hydrazino and hydrazido linkers to connect benzenesulfonamides with hydrophilic/phobic tails for targeting the middle region of human carbonic anhydrases active site: Selective inhibitors of hCA IX.EBI Eur J Med Chem 179: 547-556 (2019) Cairo University 2D 3D TSV
31276898 5 Recent progress in histone methyltransferase (G9a) inhibitors as anticancer agents.EBI Eur J Med Chem 179: 537-546 (2019) Southern Medical University 2D 3D TSV
31276897 24 Endomorphin-2 analogs containing modified tyrosines: Biological and theoretical investigation of the influence on conformation and pharmacological profile.EBI Eur J Med Chem 179: 527-536 (2019) Medical University of Lodz 2D 3D TSV
31276895 22 Novel phenanthridin-6(5H)-one derivatives as potent and selective BET bromodomain inhibitors: Rational design, synthesis and biological evaluation.EBI Eur J Med Chem 179: 502-514 (2019) Henan University of Traditional Chinese Medicine 2D 3D TSV
31276409 8 Alkaloids Purified from EBI J Nat Prod 82: 1953-1960 (2019) American University of Health Sciences 2D 3D TSV
31276399 21 Monosaccharide Analogues of Anticancer Peptide R-Lycosin-I: Role of Monosaccharide Conjugation in Complexation and the Potential of Lung Cancer Targeting and Therapy.EBI J Med Chem 62: 7857-7873 (2019) TBA 2D 3D TSV
31276392 176 Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens.EBI J Med Chem 62: 7445-7472 (2019) Angelini S.p.A. 2D 3D TSV
31274316 9 Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases.EBI J Med Chem 62: 6512-6524 (2019) University of California 2D 3D TSV
31274313 95 Discovery of a Potent Steroidal Glucocorticoid Receptor Antagonist with Enhanced Selectivity against the Progesterone and Androgen Receptors (OP-3633).EBI J Med Chem 62: 6751-6764 (2019) ORIC Pharmaceuticals 2D 3D TSV
31274307 24 Route to Prolonged Residence Time at the Histamine HEBI J Med Chem 62: 6630-6644 (2019) VU University Amsterdam 2D 3D TSV
31272837 8 Green synthesis, biological evaluation, molecular docking studies and 3D-QSAR analysis of novel phenylalanine linked quinazoline-4(3H)-one-sulphonamide hybrid entities distorting the malarial reductase activity in folate pathway.EBI Bioorg Med Chem 27: 3574-3586 (2019) Affiliated to Sardar Patel University 2D 3D TSV
31272835 5 Melanogenic inhibitory effects of Triangularin in B16F0 melanoma cells, in vitro and molecular docking studies.EBI Bioorg Med Chem 27: 3722-3728 (2019) Universidad Nacional de C£rdoba 2D 3D TSV
31272795 154 Discovery and pharmacological evaluation of indole derivatives as potent and selective ROR?t inverse agonist for multiple autoimmune conditions.EBI Bioorg Med Chem Lett 29: 2208-2217 (2019) Advinus Therapeutics Limited 2D 3D TSV
31272794 6 Discovery of novel 9H-purin derivatives as dual inhibitors of HDAC1 and CDK2.EBI Bioorg Med Chem Lett 29: 2136-2140 (2019) Chongqing Medical University 2D 3D TSV
31272793 1 Sulfonamide derivatives as multi-target agents for complex diseases.EBI Bioorg Med Chem Lett 29: 2042-2050 (2019) University of Massachusetts Boston 2D 3D TSV
31271960 1 Synthesis of novel galeterone derivatives and evaluation of their in vitro activity against prostate cancer cell lines.EBI Eur J Med Chem 179: 483-492 (2019) The Czech Academy of Sciences 2D 3D TSV
31271959 76 Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.EBI Eur J Med Chem 179: 470-482 (2019) Chinese Academy of Sciences 2D 3D TSV
31271958 53 Bis(het)aryl-1,2,3-triazole quinuclidines as ?7 nicotinic acetylcholine receptor ligands: Synthesis, structure affinity relationships, agonism activity, [EBI Eur J Med Chem 179: 449-469 (2019) Universit£ d'Orl£ans 2D 3D TSV
31271281 9 Development of Multifunctional Histone Deacetylase 6 Degraders with Potent Antimyeloma Activity.EBI J Med Chem 62: 7042-7057 (2019) Institute of Biotechnology of the Czech Academy of Sciences 2D 3D TSV
31270017 1 Homoharringtonine stabilizes secondary structure of guanine-rich sequence existing in the 5'-untranslated region of Nrf2.EBI Bioorg Med Chem Lett 29: 2189-2196 (2019) Dongguk University 2D 3D TSV
31269398 35 Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-?-lactamases.EBI J Med Chem 62: 7160-7184 (2019) Sichuan University 2D 3D TSV
31268709 17 Prenylated Stilbenoids Affect Inflammation by Inhibiting the NF-?B/AP-1 Signaling Pathway and Cyclooxygenases and Lipoxygenase.EBI J Nat Prod 82: 1839-1848 (2019) Czech Academy of Sciences 2D 3D TSV
31268699 48 Probing the Ligand-Binding Pocket of BTN3A1.EBI J Med Chem 62: 6814-6823 (2019) Western Michigan University 2D 3D TSV
31268317 6 Norepinephrine-Transporter-Targeted and DNA-Co-Targeted Theranostic Guanidines.EBI J Med Chem 63: 2051-2073 (2020) University of Nebraska Medical Center 2D 3D TSV
31268316 22 7-Methylation of Chenodeoxycholic Acid Derivatives Yields a Substantial Increase in TGR5 Receptor Potency.EBI J Med Chem 62: 6824-6830 (2019) University of Minnesota 2D 3D TSV
31268309 17 A- and D-Ring Structural Modifications of an Androsterone Derivative Inhibiting 17?-Hydroxysteroid Dehydrogenase Type 3: Chemical Synthesis and Structure-Activity Relationships.EBI J Med Chem 62: 7070-7088 (2019) CHU de Queb£c-Research Center 2D 3D TSV
31268308 36 Multistage Screening Reveals 3-Substituted Indolin-2-one Derivatives as Novel and Isoform-Selective c-Jun N-terminal Kinase 3 (JNK3) Inhibitors: Implications to Drug Discovery for Potential Treatment of Neurodegenerative Diseases.EBI J Med Chem 62: 6645-6664 (2019) Peking University 2D 3D TSV
31268307 10 Polycerasoidol, a Natural Prenylated Benzopyran with a Dual PPAR?/PPAR? Agonist Activity and Anti-inflammatory Effect.EBI J Nat Prod 82: 1802-1812 (2019) University of Valencia 2D 3D TSV
31266686 7 Small-molecule agents for the treatment of inflammatory bowel disease.EBI Bioorg Med Chem Lett 29: 2034-2041 (2019) Gilead Sciences 2D 3D TSV
31265934 53 Carboxamides vs. methanimines: Crystal structures, binding interactions, photophysical studies, and biological evaluation of (indazole-5-yl)methanimines as monoamine oxidase B and acetylcholinesterase inhibitors.EBI Eur J Med Chem 179: 404-422 (2019) NTZ Lab Ltd. 2D 3D TSV
31265286 17 Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[EBI J Med Chem 62: 6482-6494 (2019) GlaxoSmithKline 2D 3D TSV
31265285 33 Bisubstrate Inhibitors of Nicotinamide EBI J Med Chem 62: 6597-6614 (2019) Leiden University 2D 3D TSV
31264862 231 Discovery of Clinical Candidate (1EBI J Med Chem 62: 6705-6733 (2019) NewLink Genetics Corporation 2D 3D TSV
31260890 27 Design, synthesis and biological evaluations of 2-amino-4-(1-piperidine) pyridine derivatives as novel anti crizotinib-resistant ALK/ROS1 dual inhibitors.EBI Eur J Med Chem 179: 358-375 (2019) Southern Medical University 2D 3D TSV
31260889 10 Discovery of a novel 2,5-dihydroxycinnamic acid-based 5-lipoxygenase inhibitor that induces apoptosis and may impair autophagic flux in RCC4 renal cancer cells.EBI Eur J Med Chem 179: 347-357 (2019) Universit£ de Moncton 2D 3D TSV
31260312 49 TASK Channels Pharmacology: New Challenges in Drug Design.EBI J Med Chem 62: 10044-10058 (2019) Universidad de Talca 2D 3D TSV
31260301 2 Chivosazole A Modulates Protein-Protein Interactions of Actin.EBI J Nat Prod 82: 1961-1970 (2019) Ludwig-Maximilians-University 2D 3D TSV
31260300 20 Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).EBI J Med Chem 62: 8996-9007 (2019) Icahn School of Medicine at Mount Sinai 2D 3D TSV
31260299 14 Discovery of 4-Aminoquinoline-3-carboxamide Derivatives as Potent Reversible Bruton's Tyrosine Kinase Inhibitors for the Treatment of Rheumatoid Arthritis.EBI J Med Chem 62: 6561-6574 (2019) Tsinghua University 2D 3D TSV
31259550 57 Discovery of a Potent and Selective CCR4 Antagonist That Inhibits TEBI J Med Chem 62: 6190-6213 (2019) RAPT Therapeutics 2D 3D TSV
31257877 94 The Significance of Chirality in Drug Design and Synthesis of Bitopic Ligands as DEBI J Med Chem 62: 6287-6314 (2019) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
31257875 5 Benzylideneacetone Derivatives Inhibit Osteoclastogenesis and Activate Osteoblastogenesis Independently Based on Specific Structure-Activity Relationship.EBI J Med Chem 62: 6063-6082 (2019) Korea University 2D 3D TSV
31257087 243 Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR?t inverse agonists.EBI Bioorg Med Chem Lett 29: 2265-2269 (2019) Bristol-Myers Squibb Company 2D 3D TSV
31257085 24 Strategies for the development of highly selective cytochrome P450 inhibitors: Several CYP targets in current research.EBI Bioorg Med Chem Lett 29: 2016-2024 (2019) Shenyang Pharmaceutical University 2D 3D TSV
31257080 9 Design, synthesis and biological evaluation of hypolipidemic compounds based on BRD4 inhibitor RVX-208.EBI Bioorg Med Chem Lett 29: 2168-2172 (2019) Southeast University 2D 3D TSV
31257079 9 New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.EBI Bioorg Med Chem 27: 3546-3550 (2019) University of Leeds 2D 3D TSV
31256587 105 Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.EBI J Med Chem 62: 7146-7159 (2019) Cancer Therapeutics CRC 2D 3D TSV
31255928 82 Design, synthesis and biological evaluation of 2-hydrazinyladenosine derivatives as AEBI Eur J Med Chem 179: 310-324 (2019) National Engineering Research Center for the Emergency Drug 2D 3D TSV
31255927 34 Human disorders associated with inflammation and the evolving role of natural products to overcome.EBI Eur J Med Chem 179: 272-309 (2019) University of Delhi 2D 3D TSV
31255926 46 Sulfamates in drug design and discovery: Pre-clinical and clinical investigations.EBI Eur J Med Chem 179: 257-271 (2019) University of Sharjah 2D 3D TSV
31255924 34 Structure-activity relationship study and biological evaluation of SAC-Garlic acid conjugates as novel anti-inflammatory agents.EBI Eur J Med Chem 179: 233-245 (2019) Southern Medical University 2D 3D TSV
31255497 5 Rational approaches, design strategies, structure activity relationship and mechanistic insights for therapeutic coumarin hybrids.EBI Bioorg Med Chem 27: 3477-3510 (2019) Guru Nanak Dev University 2D 3D TSV
31255496 25 Modification of the 4-phenylbutyl side chain of potent 3-benzazepine-based GluN2B receptor antagonists.EBI Bioorg Med Chem 27: 3559-3567 (2019) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
31254923 7 Design, synthesis and activity of novel 2,6-disubstituted purine derivatives, potential small molecule inhibitors of signal transducer and activator of transcription 3.EBI Eur J Med Chem 179: 218-232 (2019) Wenzhou Medical University 2D 3D TSV
31254921 7 Discovery of novel pyrimidine-based benzothiazole derivatives as potent cyclin-dependent kinase 2 inhibitors with anticancer activity.EBI Eur J Med Chem 179: 196-207 (2019) Southern Medical University 2D 3D TSV
31253535 115 Design, synthesis and molecular modelling of new bulky Fananserin derivatives with altered pharmacological profile as potential antidepressants.EBI Bioorg Med Chem 27: 3396-3407 (2019) Cracow University of Technology 2D 3D TSV
31253533 14 Discovery of BR102375, a new class of non-TZD PPAR? full agonist for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 29: 2275-2282 (2019) Boryung Pharmaceuticals Co. Ltd. 2D 3D TSV
31253532 85 New dual ligands for the DEBI Bioorg Med Chem Lett 29: 2236-2242 (2019) Cracow University of Technology 2D 3D TSV
31253530 6 Inhibition of neutral lipid synthesis by avarols from a marine sponge.EBI Bioorg Med Chem Lett 29: 2283-2285 (2019) Kitasato University 2D 3D TSV
31252306 20 Design, synthesis and in vitro evaluation of 6-amide-2-aryl benzoxazole/benzimidazole derivatives against tumor cells by inhibiting VEGFR-2 kinase.EBI Eur J Med Chem 179: 147-165 (2019) Yunnan University 2D 3D TSV
31252305 18 Light-controlled inhibition of BRAFV600E kinase.EBI Eur J Med Chem 179: 133-146 (2019) University Medical Center Groningen 2D 3D TSV
31251594 57 Novel Human Aminopeptidase N Inhibitors: Discovery and Optimization of Subsite Binding Interactions.EBI J Med Chem 62: 7185-7209 (2019) Monash University 2D 3D TSV
31251063 26 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.EBI J Med Chem 62: 6615-6629 (2019) Max Planck Institute for Developmental Biology 2D 3D TSV
31250638 34 Discovery of 2-(4-Chloro-3-(trifluoromethyl)phenyl)-EBI J Med Chem 62: 6083-6101 (2019) Chinese Academy of Sciences 2D 3D TSV
31248774 45 SAR inspired by aldehyde oxidase (AO) metabolism: Discovery of novel, CNS penetrant tricyclic MEBI Bioorg Med Chem Lett 29: 2224-2228 (2019) Vanderbilt University 2D 3D TSV
31248772 4 Synthesis and biological evaluation of PSMA-targeting paclitaxel conjugates.EBI Bioorg Med Chem Lett 29: 2229-2235 (2019) Lomonosov Moscow State University 2D 3D TSV
31248771 14 l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan.EBI Bioorg Med Chem Lett 29: 2254-2258 (2019) University of Nebraska at Kearney 2D 3D TSV
31247375 33 Human constitutive androstane receptor agonist DL5016: A novel sensitizer for cyclophosphamide-based chemotherapies.EBI Eur J Med Chem 179: 84-99 (2019) University of Maryland 2D 3D TSV
31247373 18 Selective Toll-like receptor 7 agonists with novel chromeno[3,4-d]imidazol-4(1H)-one and 2-(trifluoromethyl)quinoline/ quinazoline-4-amine scaffolds.EBI Eur J Med Chem 179: 109-122 (2019) University of Ljubljana 2D 3D TSV
31246024 106 Discovery of Potent Protease-Activated Receptor 4 Antagonists with in Vivo Antithrombotic Efficacy.EBI J Med Chem 62: 7400-7416 (2019) Bristol-Myers Squibb Research & Development 2D 3D TSV
31244143 17 Molecular Networking Reveals the Chemical Diversity of Selaginellin Derivatives, Natural Phosphodiesterase-4 Inhibitors from EBI J Nat Prod 82: 1820-1830 (2019) Seoul National University 2D 3D TSV
31244141 4 Meroterpenoids with BACE1 Inhibitory Activity from the Fruiting Body of EBI J Nat Prod 82: 1797-1801 (2019) Meiji Pharmaceutical University 2D 3D TSV
31244114 56 Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-? Motif Kinase (ZAK) Inhibitors.EBI J Med Chem 63: 2114-2130 (2020) Jinan University 2D 3D TSV
31244113 27 Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.EBI J Med Chem 62: 6346-6362 (2019) Seoul National University 2D 3D TSV
31244112 46 (EBI J Med Chem 62: 6241-6261 (2019) University of Basel 2D 3D TSV
31244110 83 Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.EBI J Med Chem 62: 6015-6034 (2019) TBA 2D 3D TSV
31244109 36 Philanthotoxin Analogues That Selectively Inhibit Ganglionic Nicotinic Acetylcholine Receptors with Exceptional Potency.EBI J Med Chem 62: 6214-6222 (2019) University of Nottingham 2D 3D TSV
31244108 22 Engineered Substrate for Cyclooxygenase-2: A Pentapeptide Isoconformational to Arachidonic Acid for Managing Inflammation.EBI J Med Chem 62: 6363-6376 (2019) TBA 2D 3D TSV
31244107 2 Photoactivatable Prolyl Hydroxylase 2 Inhibitors for Stabilizing the Hypoxia-Inducible Factor with Light.EBI J Med Chem 62: 7583-7588 (2019) China Pharmaceutical University 2D 3D TSV
31244106 66 Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.EBI J Med Chem 62: 6391-6397 (2019) Gr�nenthal GmbH 2D 3D TSV
31238183 13 Design of wogonin-inspired selective cyclin-dependent kinase 9 (CDK9) inhibitors with potent in vitro and in vivo antitumor activity.EBI Eur J Med Chem 178: 782-801 (2019) China Pharmaceutical University 2D 3D TSV
31235266 60 Structure-activity relationship study of thiazolyl-hydroxamate derivatives as selective histone deacetylase 6 inhibitors.EBI Bioorg Med Chem 27: 3408-3420 (2019) Sungkyunkwan University 2D 3D TSV
31235264 13 Discovery of a pyrazolo[1,5-a]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety.EBI Bioorg Med Chem 27: 3440-3450 (2019) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
31235263 14 Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence.EBI Bioorg Med Chem Lett 29: 2316-2319 (2019) Novartis Institutes for BioMedical Research 2D 3D TSV
31235262 37 The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.EBI Bioorg Med Chem Lett 29: 2320-2326 (2019) Asahi Kasei Pharma Corporation 2D 3D TSV
31235261 56 Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.EBI Bioorg Med Chem Lett 29: 2375-2382 (2019) FORMA Therapeutics 2D 3D TSV
31234030 38 Discovery and structure-activity relationship of novel diphenylthiazole derivatives as BTK inhibitor with potent activity against B cell lymphoma cell lines.EBI Eur J Med Chem 178: 767-781 (2019) Nankai University 2D 3D TSV
31233921 50 Design, synthesis and antitumor study of a series of N-Cyclic sulfamoylaminoethyl substituted 1,2,5-oxadiazol-3-amines as new indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors.EBI Eur J Med Chem 179: 38-55 (2019) Shanghai Institute of Materia Medica (SIMM) 2D 3D TSV
31230974 311 Discovery of velpatasvir (GS-5816): A potent pan-genotypic HCV NS5A inhibitor in the single-tablet regimens VoseviEBI Bioorg Med Chem Lett 29: 2415-2427 (2019) Gilead Sciences 2D 3D TSV
31229883 202 2-Aminoimidazole-based antagonists of the 5-HTEBI Eur J Med Chem 179: 1-15 (2019) Polish Academy of Sciences 2D 3D TSV
31229876 89 Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HTEBI Eur J Med Chem 178: 740-751 (2019) Jagiellonian University 2D 3D TSV
31229875 33 Design, synthesis, in-silico and biological evaluation of novel chalcone-O-carbamate derivatives as multifunctional agents for the treatment of Alzheimer's disease.EBI Eur J Med Chem 178: 726-739 (2019) Nanyang Normal University 2D 3D TSV
31229873 32 2,7-naphthyridinone-based MET kinase inhibitors: A promising novel scaffold for antitumor drug development.EBI Eur J Med Chem 178: 705-714 (2019) Central China Normal University 2D 3D TSV
31229420 21 Synthesis of oxytocin derivatives lipidated via a carbonate or carbamate linkage as a long-acting therapeutic agent for social impairment-like behaviors.EBI Bioorg Med Chem 27: 3358-3363 (2019) Kanazawa University 2D 3D TSV
31228811 2 Medicinal prospects of antioxidants: A review.EBI Eur J Med Chem 178: 687-704 (2019) Jamia Hamdard (Deemed to be University) 2D 3D TSV
31228810 162 Discovery of 4-phenyl-2H-benzo[b][1,4]oxazin-3(4H)-one derivatives as potent and orally active PI3K/mTOR dual inhibitors.EBI Eur J Med Chem 178: 667-686 (2019) West China Hospital of Sichuan University 2D 3D TSV
31227364 29 Inhibition of polypeptide N-acetyl-?-galactosaminyltransferases is an underlying mechanism of dietary polyphenols preventing colorectal tumorigenesis.EBI Bioorg Med Chem 27: 3372-3382 (2019) Shanghai Jiao Tong University 2D 3D TSV
31227345 1 Discovery of novel N-methyl carbazole tethered rhodanine derivatives as direct inhibitors of Mycobacterium tuberculosis InhA.EBI Bioorg Med Chem Lett 29: 2338-2344 (2019) University of KwaZulu-Natal (UKZN) 2D 3D TSV
31227344 21 SAR studies in the sulfonyl carboxamide class of HBV capsid assembly modulators.EBI Bioorg Med Chem Lett 29: 2405-2409 (2019) Novira Therapeutics 2D 3D TSV
31227343 12 Discovery of 2,3'-diindolylmethanes as a novel class of PCSK9 modulators.EBI Bioorg Med Chem Lett 29: 2345-2348 (2019) University of Wisconsin 2D 3D TSV
31226656 30 Identification of benzo[cd]indol-2(1H)-ones as novel Atg4B inhibitors via a structure-based virtual screening and a novel AlphaScreen assay.EBI Eur J Med Chem 178: 648-666 (2019) Institute of Advanced Chemistry of Catalonia 2D 3D TSV
31223461 56 Discovery of SHR1653, a Highly Potent and Selective OTR Antagonist with Improved Blood-Brain Barrier Penetration.EBI ACS Med Chem Lett 10: 996-1001 (2019) Shanghai Hengrui Pharmaceutical CO., LTD. 2D 3D TSV
31223459 2 Chain-Shortened Myostatin Inhibitory Peptides Improve Grip Strength in Mice.EBI ACS Med Chem Lett 10: 985-990 (2019) Tokyo University of Pharmacy and Life Sciences 2D 3D TSV
31223458 30 Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.EBI ACS Med Chem Lett 10: 978-984 (2019) Experimental Drug Development Centre 2D 3D TSV
31223457 71 Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2.EBI ACS Med Chem Lett 10: 972-977 (2019) AstraZeneca 2D 3D TSV
31223455 12 Modifications at Arg and Ile Give Neurotensin(8-13) Derivatives with High Stability and Retained NTSEBI ACS Med Chem Lett 10: 960-965 (2019) University of Regensburg 2D 3D TSV
31223453 103 Discovery of Imidazoisoindole Derivatives as Highly Potent and Orally Active Indoleamine-2,3-dioxygenase Inhibitors.EBI ACS Med Chem Lett 10: 949-953 (2019) Shanghai Hengrui Pharmaceutical Co., Ltd. 2D 3D TSV
31223452 49 Discovery of Selective M4 Muscarinic Acetylcholine Receptor Agonists with Novel Carbamate Isosteres.EBI ACS Med Chem Lett 10: 941-948 (2019) Pfizer Inc. 2D 3D TSV
31223450 2 Synthesis and Optimization of KEBI ACS Med Chem Lett 10: 929-935 (2019) University of Pittsburgh 2D 3D TSV
31223449 18 DMSO-Perturbing Assay for Identifying Promiscuous Enzyme Inhibitors.EBI ACS Med Chem Lett 10: 923-928 (2019) Kyushu University 2D 3D TSV
31223447 44 Discovery of a Lead Triphenylethanamine Cholesterol Ester Transfer Protein (CETP) Inhibitor.EBI ACS Med Chem Lett 10: 911-916 (2019) Bristol-Myers Squibb 2D 3D TSV
31223446 9 Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations.EBI ACS Med Chem Lett 10: 904-910 (2019) The University of Texas at El Paso 2D 3D TSV
31223445 4 Computer-Aided Selective Optimization of Side Activities of Talinolol.EBI ACS Med Chem Lett 10: 899-903 (2019) Goethe-University of Frankfurt 2D 3D TSV
31223444 41 Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.EBI ACS Med Chem Lett 10: 893-898 (2019) Daiichi Sankyo Co., Ltd. 2D 3D TSV
31223440 8 Discovery of Potent and Noncovalent Reversible EGFR Kinase Inhibitors of EGFREBI ACS Med Chem Lett 10: 869-873 (2019) East China University of Science and Technology 2D 3D TSV
31223439 25 Extending Cross Metathesis To Identify Selective HDAC Inhibitors: Synthesis, Biological Activities, and Modeling.EBI ACS Med Chem Lett 10: 863-868 (2019) UMR CNRS 7285 2D 3D TSV
31223438 22 Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.EBI ACS Med Chem Lett 10: 857-862 (2019) GlaxoSmithKline 2D 3D TSV
31223436 6 LRRK2 Kinase Inhibitors as Possible Therapy for Parkinson's Disease and Other Neurodegenerative Disorders.EBI ACS Med Chem Lett 10: 846-847 (2019) Therachem Research Medilab, LLC. 2D 3D TSV
31223435 6 Rapalogs Potential as Practical Alternatives to Rapamycin.EBI ACS Med Chem Lett 10: 843-845 (2019) Therachem Research Medilab, LLC. 2D 3D TSV
31223434 6 Potential of ROCK Inhibitors as Treatment for Cardiovascular Diseases, Cancer, and More.EBI ACS Med Chem Lett 10: 841-842 (2019) Therachem Research Medilab, LLC. 2D 3D TSV
31221612 20 Discovery and Biological evaluation of pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione derivatives as potent Bruton's tyrosine kinase inhibitors.EBI Bioorg Med Chem 27: 3390-3395 (2019) East China University of Science & Technology 2D 3D TSV
31221611 20 Synthesis and molecular modeling of novel non-sulfonylureas as hypoglycemic agents and selective ALR2 inhibitors.EBI Bioorg Med Chem 27: 3383-3389 (2019) Suez Canal University 2D 3D TSV
31221555 48 Identification and characterization of potent and selective inhibitors targeting protein tyrosine phosphatase 1B (PTP1B).EBI Bioorg Med Chem Lett 29: 2358-2363 (2019) Zhejiang Sci-Tech University 2D 3D TSV
31220676 1 Structure-activity relationship studies on Bax activator SMBA1 for the treatment of ER-positive and triple-negative breast cancer.EBI Eur J Med Chem 178: 589-605 (2019) University of Texas Medical Branch 2D 3D TSV
31220675 88 Preparation of bivalent agonists for targeting the mu opioid and cannabinoid receptors.EBI Eur J Med Chem 178: 571-588 (2019) Biological Research Centre of the Hungarian Academy of Sciences 2D 3D TSV
31212132 43 Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38? and BRD4.EBI Eur J Med Chem 178: 530-543 (2019) Newcastle University 2D 3D TSV
31208797 52 Discovery of DC_H31 as potential mutant IDH1 inhibitor through NADPH-based high throughput screening.EBI Bioorg Med Chem 27: 3229-3236 (2019) Huazhong Agricultural University 2D 3D TSV
31207462 42 Dual FLT3 inhibitors: Against the drug resistance of acute myeloid leukemia in recent decade.EBI Eur J Med Chem 178: 468-483 (2019) Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital 2D 3D TSV
31204226 4 Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships.EBI Bioorg Med Chem 27: 3299-3306 (2019) Chinese Academy of Sciences 2D 3D TSV
31204225 55 Chemical modification-mediated optimisation of bronchodilatory activity of mepenzolate, a muscarinic receptor antagonist with anti-inflammatory activity.EBI Bioorg Med Chem 27: 3339-3346 (2019) National Institute of Advanced Industrial Science and Technology (AIST) 2D 3D TSV
31202995 6 Switching on the activity of 1,5-diaryl-pyrrole derivatives against drug-resistant ESKAPE bacteria: Structure-activity relationships and mode of action studies.EBI Eur J Med Chem 178: 500-514 (2019) Sapienza University of Rome 2D 3D TSV
31202993 37 Identify liver X receptor ? modulator building blocks by developing a fluorescence polarization-based competition assay.EBI Eur J Med Chem 178: 458-467 (2019) Sun Yat-sen University 2D 3D TSV
31202991 31 Design, synthesis and biological evaluation of novel 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole triazole derivatives as potent TRPV1 antagonists.EBI Eur J Med Chem 178: 433-445 (2019) Henan University 2D 3D TSV
31202126 25 Exploiting the 1-(4-fluorobenzyl)piperazine fragment for the development of novel tyrosinase inhibitors as anti-melanogenic agents: Design, synthesis, structural insights and biological profile.EBI Eur J Med Chem 178: 380-389 (2019) Polo Universitario SS. Annunziata 2D 3D TSV
31201063 4 Synthesis of N'-propylhydrazide analogs of hydroxamic inhibitors of histone deacetylases (HDACs) and evaluation of their impact on activities of HDACs and replication of hepatitis C virus (HCV).EBI Bioorg Med Chem Lett 29: 2369-2374 (2019) Russian Academy of Sciences 2D 3D TSV
31200237 95 Discovery of 6-(2-(dimethylamino)ethyl)-N-(5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole-6-yl)pyrimidin-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine as a highly potent cyclin-dependent kinase 4/6 inhibitor for treatment of cancer.EBI Eur J Med Chem 178: 352-364 (2019) Shanghai Pharmaceuticals Holding Co., Ltd. 2D 3D TSV
31200236 6 Tetrazole hybrids with potential anticancer activity.EBI Eur J Med Chem 178: 341-351 (2019) Henan University of Chinese Medicine 2D 3D TSV
31200235 7 Targeting dihydrofolate reductase: Design, synthesis and biological evaluation of novel 6-substituted pyrrolo[2,3-d]pyrimidines as nonclassical antifolates and as potential antitumor agents.EBI Eur J Med Chem 178: 329-340 (2019) Hebei Medical University 2D 3D TSV
31199640 50 Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.EBI J Med Chem 62: 6540-6560 (2019) AstraZeneca 2D 3D TSV
31199638 14 Isolation of Sesquiterpene-Amino Acid Conjugates, Onopornoids A-D, and a Flavonoid Glucoside from Onopordum alexandrinum.EBI J Nat Prod 82: 1471-1477 (2019) Hiroshima University 2D 3D TSV
31199148 148 Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.EBI J Med Chem 62: 6575-6596 (2019) Forma Therapeutics, Inc. 2D 3D TSV
31196755 6 Anti-oligomerization sheet molecules: Design, synthesis and evaluation of inhibitory activities against ?-synuclein aggregation.EBI Bioorg Med Chem 27: 3089-3096 (2019) Zhengzhou University 2D 3D TSV
31196753 19 Synthesis of oxadiazole-coupled-thiadiazole derivatives as a potent ?-glucuronidase inhibitors and their molecular docking study.EBI Bioorg Med Chem 27: 3145-3155 (2019) Imam Abdulrahman Bin Faisal University 2D 3D TSV
31195171 7 Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones.EBI Eur J Med Chem 178: 297-314 (2019) University of Padova 2D 3D TSV
31195169 46 Histone acetyltransferase inhibitors: An overview in synthesis, structure-activity relationship and molecular mechanism.EBI Eur J Med Chem 178: 259-286 (2019) Sichuan University 2D 3D TSV
31194549 57 PeIA-5466: A Novel Peptide Antagonist Containing Non-natural Amino Acids That Selectively Targets ?3?2 Nicotinic Acetylcholine Receptors.EBI J Med Chem 62: 6262-6275 (2019) Veterans Affairs Medical Center 2D 3D TSV
31194544 2 Discovery of Ziresovir as a Potent, Selective, and Orally Bioavailable Respiratory Syncytial Virus Fusion Protein Inhibitor.EBI J Med Chem 62: 6003-6014 (2019) Roche Pharma Research and Early Development 2D 3D TSV
31188592 39 Why Some Targets Benefit from beyond Rule of Five Drugs.EBI J Med Chem 62: 10005-10025 (2019) Boston University 2D 3D TSV
31188588 1 Identification of Ezetimibe and Pranlukast as Pharmacological Chaperones for the Treatment of the Rare Disease Mucopolysaccharidosis Type IVA.EBI J Med Chem 62: 6175-6189 (2019) Universidad Nacional de Colombia 2D 3D TSV
31187989 11 De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX.EBI J Med Chem 62: 6377-6390 (2019) University of Toronto 2D 3D TSV
31185414 86 Discovery of novel benzofuran-based compounds with neuroprotective and immunomodulatory properties for Alzheimer's disease treatment.EBI Eur J Med Chem 178: 243-258 (2019) Alma Mater Studiorum-University of Bologna 2D 3D TSV
31185413 45 Discovery of novel Bcr-AblEBI Eur J Med Chem 178: 232-242 (2019) Xi'an Jiaotong University 2D 3D TSV
31185410 2 Design, synthesis, antitumor activities and biological studies of novel diaryl substituted fused heterocycles as dual ligands targeting tubulin and katanin.EBI Eur J Med Chem 178: 177-194 (2019) Fudan University 2D 3D TSV
31185168 144 Functionalized 6-(Piperidin-1-yl)-8,9-Diphenyl Purines as Peripherally Restricted Inverse Agonists of the CB1 Receptor.EBI J Med Chem 62: 6330-6345 (2019) RTI International 2D 3D TSV
31181882 6 A Potent Isoprenylcysteine Carboxylmethyltransferase (ICMT) Inhibitor Improves Survival in Ras-Driven Acute Myeloid Leukemia.EBI J Med Chem 62: 6035-6046 (2019) Universidad Complutense de Madrid 2D 3D TSV
31181405 33 Inhibitory selectivity among class I HDACs has a major impact on inflammatory gene expression in macrophages.EBI Eur J Med Chem 177: 457-466 (2019) University of Groningen 2D 3D TSV
31178269 2 Synthesis of N-hydroxycinnamoyl amide derivatives and evaluation of their anti-oxidative and anti-tyrosinase activities.EBI Bioorg Med Chem 27: (2019) Beijing Technology and Business University 2D 3D TSV
31178268 12 Design, synthesis and biological evaluation of novel aryl-acrylic derivatives as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors.EBI Bioorg Med Chem 27: 3135-3144 (2019) Shenyang Pharmaceutical University 2D 3D TSV
31177777 54 Improvement of Asparagine Ethylenediamines as Anti-malarial EBI J Med Chem 62: 6137-6145 (2019) Weill Cornell Medicine 2D 3D TSV
31177074 4 Synthesis and anti-tumor efficacy of novel 2, 4-diarylaminopyrimidine derivatives bearing N-(3-pyridinylmethyl) urea moiety as anaplastic lymphoma kinase inhibitors.EBI Eur J Med Chem 178: 141-153 (2019) Peking University Health Science Center 2D 3D TSV
31177073 22 Discovery of 1,2,4-oxadiazole-Containing hydroxamic acid derivatives as histone deacetylase inhibitors potential application in cancer therapy.EBI Eur J Med Chem 178: 116-130 (2019) Sichuan University and Collaborative Innovation Center of Biotherapy 2D 3D TSV
31176700 36 Identification of substituted benzothiazole sulfones as potent and selective inhibitors of endothelial lipase.EBI Bioorg Med Chem Lett 29: 1918-1921 (2019) Bristol-Myers Squibb 2D 3D TSV
31176699 27 Development of substituted pyrido[3,2-d]pyrimidines as potent and selective dihydrofolate reductase inhibitors for pneumocystis pneumonia infection.EBI Bioorg Med Chem Lett 29: 1874-1880 (2019) Duquesne University 2D 3D TSV
31176698 15 Backbone modifications in peptidic inhibitors of flaviviral proteases.EBI Bioorg Med Chem Lett 29: 1913-1917 (2019) Heidelberg University 2D 3D TSV
31176571 24 Naphthalene-triazolopyrimidine hybrid compounds as potential multifunctional anti-Alzheimer's agents.EBI Bioorg Med Chem 27: 3156-3166 (2019) Jamia Millia Islamia (Central University) 2D 3D TSV
31176569 29 Nature-inspired pyrrolo[2,3-d]pyrimidines targeting the histamine HEBI Bioorg Med Chem 27: 3194-3200 (2019) Heinrich Heine University D£sseldorf 2D 3D TSV
31176568 34 Alkylsulfonamide-containing quinazoline derivatives as potent and orally bioavailable PI3Ks inhibitors.EBI Bioorg Med Chem 27: (2019) Xi'an Jiaotong University 2D 3D TSV
31176565 9 New pyrazolopyrimidine derivatives as Leishmania amazonensis arginase inhibitors.EBI Bioorg Med Chem 27: 3061-3069 (2019) Instituto de Tecnologia em Farmacos 2D 3D TSV
31176098 33 Development of potential preclinical candidates with promising in vitro ADME profile for the inhibition of type 1 and type 2 17?-Hydroxysteroid dehydrogenases: Design, synthesis, and biological evaluation.EBI Eur J Med Chem 178: 93-107 (2019) Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) 2D 3D TSV
31176096 44 Design, synthesis and biological evaluation of "Multi-Site"-binding influenza virus neuraminidase inhibitors.EBI Eur J Med Chem 178: 64-80 (2019) Shandong University 2D 3D TSV
31175010 106 Synthesis and structure activity relationships of a series of 4-amino-1H-pyrazoles as covalent inhibitors of CDK14.EBI Bioorg Med Chem Lett 29: 1985-1993 (2019) Harvard Medical School 2D 3D TSV
31174062 12 1-Phenyl-dihydrobenzoindazoles as novel colchicine site inhibitors: Structural basis and antitumor efficacy.EBI Eur J Med Chem 177: 448-456 (2019) Second Military Medical University 2D 3D TSV
31167153 8 An overview on the synthetic and medicinal perspectives of indenopyrazoles.EBI Eur J Med Chem 178: 1-12 (2019) CSIR-Indian Institute of Chemical Technology 2D 3D TSV
31160177 26 Chalcone derivatives bearing chromen or benzo[f]chromen moieties: Design, synthesis, and evaluations of anti-inflammatory, analgesic, selective COX-2 inhibitory activities.EBI Bioorg Med Chem Lett 29: 1909-1912 (2019) Zhejiang Ocean University 2D 3D TSV
31160176 22 Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections.EBI Bioorg Med Chem Lett 29: 2410-2414 (2019) GlaxoSmithKline 2D 3D TSV
31160175 5 3H-Imidazo[4,5-b]pyridine-6-carboxylic acid derivatives as rexinoids with reduced teratogenicity.EBI Bioorg Med Chem Lett 29: 1891-1894 (2019) Okayama University Graduate School of Medicine 2D 3D TSV
31158754 47 Investigating 1,2,3,4,5,6-hexahydroazepino[4,3-b]indole as scaffold of butyrylcholinesterase-selective inhibitors with additional neuroprotective activities for Alzheimer's disease.EBI Eur J Med Chem 177: 414-424 (2019) University of Bari Aldo Moro 2D 3D TSV
31158752 6 Enhanced tumor retention of NTSR1-targeted agents by employing a hydrophilic cysteine cathepsin inhibitor.EBI Eur J Med Chem 177: 386-400 (2019) University of Nebraska Medical Center 2D 3D TSV
31158750 23 Design and synthesis of novel xanthone-triazole derivatives as potential antidiabetic agents: ?-Glucosidase inhibition and glucose uptake promotion.EBI Eur J Med Chem 177: 362-373 (2019) Sun Yat-sen University 2D 3D TSV
31158747 257 C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.EBI Eur J Med Chem 177: 316-337 (2019) Institute of Cancer Research 2D 3D TSV
31158744 53 Design and synthesis of 3-aminophthalazine derivatives and structural analogues as PDE5 inhibitors: anti-allodynic effect against neuropathic pain in a mouse model.EBI Eur J Med Chem 177: 269-290 (2019) Universit£ de Strasbourg 2D 3D TSV
31158743 13 Caffeic acid phenethyl ester (CAPE)-derivatives act as selective inhibitors of acetylcholinesterase.EBI Eur J Med Chem 177: 259-268 (2019) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
31158742 16 Development of the "hidden" multifunctional agents for Alzheimer's disease.EBI Eur J Med Chem 177: 247-258 (2019) Zhejiang Academy of Medical Sciences 2D 3D TSV
31157974 104 Potent 5-Cyano-6-phenyl-pyrimidin-Based Derivatives Targeting DCN1-UBE2M Interaction.EBI J Med Chem 62: 5382-5403 (2019) Zhengzhou University 2D 3D TSV
31153806 11 Discovery of naphthacemycins as a novel class of PARP1 inhibitors.EBI Bioorg Med Chem Lett 29: 1904-1908 (2019) North China Pharmaceutical Group Corporation 2D 3D TSV
31153805 54 Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase.EBI Bioorg Med Chem Lett 29: 1962-1967 (2019) AstraZeneca 2D 3D TSV
31153804 13 Chemical conversion of nicotinamide into type I positive allosteric modulator of ?7 nAChRs.EBI Bioorg Med Chem Lett 29: 1928-1933 (2019) Peking University 2D 3D TSV
31151791 35 Development of covalent antagonists for ?1- and ?2-adrenergic receptors.EBI Bioorg Med Chem 27: 2959-2971 (2019) Friedrich-Alexander Universit£t Erlangen-N£rnberg 2D 3D TSV
31151068 5 Andrographolide: A natural product template for the generation of structurally and biologically diverse diterpenes.EBI Eur J Med Chem 176: 513-533 (2019) Institute of Higher Learning 2D 3D TSV
31151057 52 Dipropargyl substituted diphenylpyrimidines as dual inhibitors of monoamine oxidase and acetylcholinesterase.EBI Eur J Med Chem 177: 221-234 (2019) Central University of Punjab 2D 3D TSV
31147104 8 Discovery of conolidine derivative DS39201083 as a potent novel analgesic without mu opioid agonist activity.EBI Bioorg Med Chem Lett 29: 1938-1942 (2019) Daiichi Sankyo Co., Ltd. 2D 3D TSV
31147103 6 Determining the necessity of phenyl ring ?-character in warfarin.EBI Bioorg Med Chem Lett 29: 1954-1956 (2019) University of Queensland 2D 3D TSV
31145622 91 Identification and Optimization of Novel Cathepsin C Inhibitors Derived from EGFR Inhibitors.EBI J Med Chem 62: 5901-5919 (2019) National Institute of Biological Sciences (NIBS) 2D 3D TSV
31144814 10 Identification of Diketopiperazine-Containing 2-Anilinobenzamides as Potent Sirtuin 2 (SIRT2)-Selective Inhibitors Targeting the "Selectivity Pocket", Substrate-Binding Site, and NADEBI J Med Chem 62: 5844-5862 (2019) Kyoto Prefectural University of Medicine 2D 3D TSV
31138472 35 Design, synthesis and structure activity relationships of indazole and indole derivatives as potent glucagon receptor antagonists.EBI Bioorg Med Chem Lett 29: 1974-1980 (2019) Janssen Research & Development, L.L.C. 2D 3D TSV
31138471 29 Naturally occurring biflavonoids with amyloid ? aggregation inhibitory activity for development of anti-Alzheimer agents.EBI Bioorg Med Chem Lett 29: 1994-1997 (2019) Meiji Pharmaceutical University 2D 3D TSV
31138459 50 Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.EBI Bioorg Med Chem 27: 2905-2913 (2019) Biogen Inc. 2D 3D TSV
31136894 46 Design, synthesis, and biological evaluation of rutacecarpine derivatives as multitarget-directed ligands for the treatment of Alzheimer's disease.EBI Eur J Med Chem 177: 198-211 (2019) Anhui Medical University 2D 3D TSV
31136893 176 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.EBI Eur J Med Chem 177: 188-197 (2019) University of Florence 2D 3D TSV
31136173 45 Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.EBI J Med Chem 62: 5810-5831 (2019) KU Leuven 2D 3D TSV
31133534 32 Discovery of ABT-957: 1-Benzyl-5-oxopyrrolidine-2-carboxamides as selective calpain inhibitors with enhanced metabolic stability.EBI Bioorg Med Chem Lett 29: 1968-1973 (2019) AbbVie Deutschland GmbH & Co. KG 2D 3D TSV
31132532 16 SAR study of celastrol analogs targeting Nur77-mediated inflammatory pathway.EBI Eur J Med Chem 177: 171-187 (2019) Xiamen University 2D 3D TSV
31129455 4 Developments in the anticancer activity of structurally modified curcumin: An up-to-date review.EBI Eur J Med Chem 177: 76-104 (2019) Manipal Academy of Higher Education 2D 3D TSV
31129454 51 The chemical biology of apoptosis: Revisited after 17 years.EBI Eur J Med Chem 177: 63-75 (2019) Tsinghua University 2D 3D TSV
31129453 55 Tetrahydro-3-benzazepines with fluorinated side chains as NMDA and ?EBI Eur J Med Chem 177: 47-62 (2019) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
31129452 10 Discovery of 2,4-diarylaminopyrimidine derivatives bearing dithiocarbamate moiety as novel FAK inhibitors with antitumor and anti-angiogenesis activities.EBI Eur J Med Chem 177: 32-46 (2019) Peking University Health Science Center 2D 3D TSV
31129450 72 Estrogen signaling: An emanating therapeutic target for breast cancer treatment.EBI Eur J Med Chem 177: 116-143 (2019) Indian Institute of Technology (BHU) 2D 3D TSV
31129449 24 Development of novel human lactate dehydrogenase A inhibitors: High-throughput screening, synthesis, and biological evaluations.EBI Eur J Med Chem 177: 105-115 (2019) Hubei University of Medicine 2D 3D TSV
31129054 10 A high throughput substrate binding assay reveals hexachlorophene as an inhibitor of the ER-resident HSP70 chaperone GRP78.EBI Bioorg Med Chem Lett 29: 1689-1693 (2019) University of Arizona 2D 3D TSV
31128993 22 Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.EBI Bioorg Med Chem 27: 2935-2947 (2019) Charles University 2D 3D TSV
31128990 38 Design, synthesis, and biological evaluation of novel 4-oxobenzo[d]1,2,3-triazin-benzylpyridinum derivatives as potent anti-Alzheimer agents.EBI Bioorg Med Chem 27: 2914-2922 (2019) University of Zanjan 2D 3D TSV
31128449 3 Development of selective small molecule MDM2 degraders based on nutlin.EBI Eur J Med Chem 176: 476-491 (2019) University of Wisconsin-Madison 2D 3D TSV
31128447 32 Recent update on anti-dengue drug discovery.EBI Eur J Med Chem 176: 431-455 (2019) Queensland University of Technology 2D 3D TSV
31125226 2 Transformation of Santonin to a Naproxen Analogue with Anti-Inflammatory Activity.EBI J Nat Prod 82: 1710-1713 (2019) Indian Institute of Integrative Medicine (CSIR) 2D 3D TSV
31122869 40 Design and synthesis of a novel series of cyanoindole derivatives as potent ?-secretase modulators.EBI Bioorg Med Chem Lett 29: 1737-1745 (2019) Janssen Research & Development 2D 3D TSV
31121430 22 Molecular design and anticancer activities of small-molecule monopolar spindle 1 inhibitors: A Medicinal chemistry perspective.EBI Eur J Med Chem 175: 247-268 (2019) Jilin University 2D 3D TSV
31120744 17 Hydroxamic Acid Derivatives of ?-Carboline/Hydroxycinnamic Acid Hybrids Inducing Apoptosis and Autophagy through the PI3K/Akt/mTOR Pathways.EBI J Nat Prod 82: 1442-1450 (2019) Nantong University 2D 3D TSV
31120251 2 Caspase-Dependent Apoptosis in Prostate Cancer Cells and Zebrafish by Corchorusoside C from Streptocaulon juventas.EBI J Nat Prod 82: 1645-1655 (2019) University of Illinois at Chicago 2D 3D TSV
31117524 1 Isolation and Biological Activity of 8- Epitetrodotoxin and the Structure of a Possible Biosynthetic Shunt Product of Tetrodotoxin, Cep-226A, from the Newt Cynops ensicauda popei.EBI J Nat Prod 82: 1656-1663 (2019) Tohoku University 2D 3D TSV
31117518 2 From Inhibition to Degradation: Targeting the Antiapoptotic Protein Myeloid Cell Leukemia 1 (MCL1).EBI J Med Chem 62: 5522-5540 (2019) University of Calgary 2D 3D TSV
31117517 103 Design, Synthesis, and Biological Evaluation of 4-Methyl Quinazoline Derivatives as Anticancer Agents Simultaneously Targeting Phosphoinositide 3-Kinases and Histone Deacetylases.EBI J Med Chem 62: 6992-7014 (2019) TBA 2D 3D TSV
31117516 102 Development of Peptide-Based Sirtuin Defatty-Acylase Inhibitors Identified by the Fluorescence Probe, SFP3, That Can Efficiently Measure Defatty-Acylase Activity of Sirtuin.EBI J Med Chem 62: 5434-5452 (2019) Nagoya City University 2D 3D TSV
31117515 60 Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.EBI J Med Chem 62: 5414-5433 (2019) Chinese Academy of Sciences 2D 3D TSV
31117514 167 Five-Membered N-Heterocyclic Scaffolds as Novel Amino Bioisosteres at ?-Aminobutyric Acid (GABA) Type A Receptors and GABA Transporters.EBI J Med Chem 62: 5797-5809 (2019) University of Copenhagen 2D 3D TSV
31112894 384 Synthetic heterocyclic candidates as promising ?-glucosidase inhibitors: An overview.EBI Eur J Med Chem 176: 343-377 (2019) Babasaheb Bhimrao Ambedkar University (A Central University) 2D 3D TSV
31112893 8 An update about the crucial role of stereochemistry on the effects of Peroxisome Proliferator-Activated Receptor ligands.EBI Eur J Med Chem 176: 326-342 (2019) Universit£ Degli Studi di Bari "Aldo Moro" 2D 3D TSV
31112892 84 1,3-Dioxane as a scaffold for potent and selective 5-HTEBI Eur J Med Chem 176: 310-325 (2019) Universit£ degli Studi di Modena e Reggio Emilia 2D 3D TSV
31112891 30 Multi-targeting protein-protein interaction inhibitors: Evolution of macrocyclic ligands with embedded carbohydrates (MECs) to improve selectivity.EBI Eur J Med Chem 176: 292-309 (2019) National University of Ireland Galway 2D 3D TSV
31109791 36 Design, synthesis and biological evaluation of indane derived GPR40 agoPAMs.EBI Bioorg Med Chem Lett 29: 1842-1848 (2019) Merck & Co. 2D 3D TSV
31108261 7 Synthesis and biological evaluation of novel xanthine derivatives as potential apoptotic antitumor agents.EBI Eur J Med Chem 176: 117-128 (2019) Deraya University 2D 3D TSV
31104995 22 Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization.EBI Bioorg Med Chem Lett 29: 1854-1858 (2019) Merck & Co. 2D 3D TSV
31104785 2 Capsaicin-like analogue induced selective apoptosis in A2058 melanoma cells: Design, synthesis and molecular modeling.EBI Bioorg Med Chem 27: 2893-2904 (2019) University of S£o Paulo 2D 3D TSV
31103904 7 Natural products as multidrug resistance modulators in cancer.EBI Eur J Med Chem 176: 268-291 (2019) Central University of Punjab 2D 3D TSV
31103903 47 Combining structure- and property-based optimization to identify selective FLT3-ITD inhibitors with good antitumor efficacy in AML cell inoculated mouse xenograft model.EBI Eur J Med Chem 176: 248-267 (2019) China Pharmaceutical University 2D 3D TSV
31103902 41 Multi-target design strategies for the improved treatment of Alzheimer's disease.EBI Eur J Med Chem 176: 228-247 (2019) China Pharmaceutical University 2D 3D TSV
31103900 36 Thioether-based 2-aminobenzamide derivatives: Novel HDAC inhibitors with potent in vitro and in vivo antitumor activity.EBI Eur J Med Chem 176: 195-207 (2019) Beijing University of Chemical Technology 2D 3D TSV
31103899 15 Synthesis and structure-activity relationships of small-molecular di-basic esters, amides and carbamates as flaviviral protease inhibitors.EBI Eur J Med Chem 176: 187-194 (2019) Heidelberg University 2D 3D TSV
31103446 24 Design, synthesis and biological evaluation of benzimidazole derivatives as novel human Pin1 inhibitors.EBI Bioorg Med Chem Lett 29: 1859-1863 (2019) Shenyang Pharmaceutical University 2D 3D TSV
31103445 16 Synthesis and biological evaluation of acylthiourea against DUSP1 inhibition.EBI Bioorg Med Chem Lett 29: 1746-1748 (2019) Anticancer Agent Research Center 2D 3D TSV
31101493 1 Identification and immunological evaluation of novel TLR2 agonists through structure optimization of PamEBI Bioorg Med Chem 27: 2784-2800 (2019) Fudan University 2D 3D TSV
31101471 11 Discovery of novel pyridazine derivatives as glucose transporter type 4 (GLUT4) translocation activators.EBI Bioorg Med Chem Lett 29: 1785-1790 (2019) Daiichi Sankyo Co, Ltd 2D 3D TSV
31100649 40 The past, present and future of potential small-molecule drugs targeting p53-MDM2/MDMX for cancer therapy.EBI Eur J Med Chem 176: 92-104 (2019) Sichuan University 2D 3D TSV
31099568 18 Nitric Oxide-Releasing Selective Estrogen Receptor Modulators: A Bifunctional Approach to Improve the Therapeutic Index.EBI J Med Chem 62: 6525-6539 (2019) Helmholtz-Zentrum Dresden-Rossendorf 2D 3D TSV
31099559 36 Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.EBI J Med Chem 62: 5579-5593 (2019) Shanghai Institute of Materia Medica 2D 3D TSV
31098002 25 Unnatural Tripeptides as Potent Positive Allosteric Modulators of T1R2/T1R3.EBI ACS Med Chem Lett 10: 800-805 (2019) Ajinomoto Co., Inc. 2D 3D TSV
31098001 35 Synthesis and Pharmacological Evaluation of Noncatechol G Protein Biased and Unbiased Dopamine D1 Receptor Agonists.EBI ACS Med Chem Lett 10: 792-799 (2019) University of Texas Medical Branch 2D 3D TSV
31098000 63 Discovery of CDK5 Inhibitors through Structure-Guided Approach.EBI ACS Med Chem Lett 10: 786-791 (2019) University of South Australia 2D 3D TSV
31097999 18 Discovery of GSK8612, a Highly Selective and Potent TBK1 Inhibitor.EBI ACS Med Chem Lett 10: 780-785 (2019) Cellzome GmbH 2D 3D TSV
31097997 21 Identification of New Small-Molecule Inducers of Estrogen-related Receptor ? (ERR?) Degradation.EBI ACS Med Chem Lett 10: 767-772 (2019) Jinan University 2D 3D TSV
31097995 8 Discovery of BNC375, a Potent, Selective, and Orally Available Type I Positive Allosteric Modulator of ?7 nAChRs.EBI ACS Med Chem Lett 10: 754-760 (2019) Bionomics Limited 2D 3D TSV
31097992 21 Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.EBI ACS Med Chem Lett 10: 737-742 (2019) Daiichi Sankyo Co., Ltd. 2D 3D TSV
31097402 13 Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of ?-aminobutyric acid transporter 1 (GAT1).EBI Bioorg Med Chem 27: 2753-2763 (2019) Ludwig Maximilians-Universit£t M£nchen 2D 3D TSV
31096156 55 Discovery and synthesis of novel indole derivatives-containing 3-methylenedihydrofuran-2(3H)-one as irreversible LSD1 inhibitors.EBI Eur J Med Chem 175: 357-372 (2019) Zhengzhou University 2D 3D TSV
31096155 13 Discovery of Dioxino[2,3-f]quinazoline derivative VEGFR-2 inhibitors exerting significant antipro-liferative activity in HUVECs and mice.EBI Eur J Med Chem 175: 349-356 (2019) Beijing University of Technology 2D 3D TSV
31096154 39 Structure-guided optimization of 4,6-substituted-1,3,5-triazin-2(1H)-ones as catalytic inhibitors of human DNA topoisomerase II?.EBI Eur J Med Chem 175: 330-348 (2019) Slovenia; University of Ljubljana 2D 3D TSV
31096153 90 Pyridinylimidazoles as dual glycogen synthase kinase 3?/p38? mitogen-activated protein kinase inhibitors.EBI Eur J Med Chem 175: 309-329 (2019) Eberhard Karls Universit£t T£bingen 2D 3D TSV
31095389 29 Diketopiperazine-Type Alkaloids from a Deep-Sea-Derived Aspergillus puniceus Fungus and Their Effects on Liver X Receptor ?.EBI J Nat Prod 82: 1558-1564 (2019) Chinese Academy of Sciences 2D 3D TSV
31095386 109 Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.EBI J Med Chem 62: 5616-5627 (2019) TBA 2D 3D TSV
31095385 38 -(7-Cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[EBI J Med Chem 62: 6665-6681 (2019) Ningxia Medical University 2D 3D TSV
31091479 10 Assessment of quinazolinone derivatives as novel non-nucleoside hepatitis B virus inhibitors.EBI Eur J Med Chem 176: 41-49 (2019) Xuzhou Medical University 2D 3D TSV
31091477 7 Synthesis and biological evaluation of dihydroquinazoline-2-amines as potent non-nucleoside reverse transcriptase inhibitors of wild-type and mutant HIV-1 strains.EBI Eur J Med Chem 176: 11-20 (2019) Fudan University 2D 3D TSV
31088715 75 Synthesis, biological evaluation, and molecular docking study of sulfonate derivatives as nucleotide pyrophosphatase/phosphodiesterase (NPP) inhibitors.EBI Bioorg Med Chem 27: 2741-2752 (2019) University of Sharjah 2D 3D TSV
31088713 2 Fasudil dichloroacetate (FDCA), an orally available agent with potent therapeutic efficiency on monocrotaline-induced pulmonary arterial hypertension rats.EBI Bioorg Med Chem Lett 29: 1812-1818 (2019) The First Affiliated Hospital of Nanjing Medical University 2D 3D TSV
31084949 4 Novel benzothiazole hydrazine carboxamide hybrid scaffolds as potential in vitro GABA AT enzyme inhibitors: Synthesis, molecular docking and antiepileptic evaluation.EBI Bioorg Med Chem Lett 29: 1825-1830 (2019) Jouf University 2D 3D TSV
31083990 2 Structural Tailoring of a Novel Fluorescent IRE-1 RNase Inhibitor to Precisely Control Its Activity.EBI J Med Chem 62: 5404-5413 (2019) The Wistar Institute 2D 3D TSV
31083946 2 Hydroxyl Groups in Synthetic and Natural-Product-Derived Therapeutics: A Perspective on a Common Functional Group.EBI J Med Chem 62: 8915-8930 (2019) University of Basel 2D 3D TSV
31082765 11 Structure-activity relationship and synthetic methodologies of ?-santonin derivatives with diverse bioactivities: A mini-review.EBI Eur J Med Chem 175: 215-233 (2019) Shanghai Ocean University 2D 3D TSV
31082764 3 Design, synthesis and pharmacological evaluation of a novel mTOR-targeted anti-EV71 agent.EBI Eur J Med Chem 175: 172-186 (2019) National Engineering Research Center for the Emergency Drug 2D 3D TSV
31082763 10 Discovery of tropinone-thiazole derivatives as potent caspase 3/7 activators, and noncompetitive tyrosinase inhibitors with high antiproliferative activity: Rational design, one-pot tricomponent synthesis, and lipophilicity determination.EBI Eur J Med Chem 175: 162-171 (2019) Nicolaus Copernicus University 2D 3D TSV
31082234 14 Development of Small-Molecules Targeting Receptor Activator of Nuclear Factor-?B Ligand (RANKL)-Receptor Activator of Nuclear Factor-?B (RANK) Protein-Protein Interaction by Structure-Based Virtual Screening and Hit Optimization.EBI J Med Chem 62: 5370-5381 (2019) Shanghai Jiaotong University School of Medicine 2D 3D TSV
31082230 90 Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.EBI J Med Chem 62: 6223-6240 (2019) Genentech 2D 3D TSV
31082225 26 Rational Design of Multitarget-Directed Ligands: Strategies and Emerging Paradigms.EBI J Med Chem 62: 8881-8914 (2019) China Pharmaceutical University 2D 3D TSV
31079967 43 Design, synthesis and evaluation of sulfonylurea-containing 4-phenoxyquinolines as highly selective c-Met kinase inhibitors.EBI Bioorg Med Chem 27: 2801-2812 (2019) School of Marine Science and Technology 2D 3D TSV
31079964 35 Design, synthesis and preliminary bioactivity studies of indomethacin derivatives as Bcl-2/Mcl-1 dual inhibitors.EBI Bioorg Med Chem 27: 2771-2783 (2019) Shandong University 2D 3D TSV
31079449 64 Design, Synthesis, and Preclinical Efficacy of Novel Nonretinoid Antagonists of Retinol-Binding Protein 4 in the Mouse Model of Hepatic Steatosis.EBI J Med Chem 62: 5470-5500 (2019) Albany College of Pharmacy and Health Sciences 2D 3D TSV
31078412 33 Structure based designing of triazolopyrimidone-based reversible inhibitors for kinases involved in NSCLC.EBI Bioorg Med Chem Lett 29: 1565-1571 (2019) Punjabi University 2D 3D TSV
31078410 5 A new lateral root growth inhibitor from the sponge-derived fungus Aspergillus sp. LS45.EBI Bioorg Med Chem Lett 29: 1593-1596 (2019) Ningbo University 2D 3D TSV
31077998 81 Targeting tropomyosin receptor kinase for cancer therapy.EBI Eur J Med Chem 175: 129-148 (2019) China Pharmaceutical University 2D 3D TSV
31077996 23 Ligand retargeting by binding site analogy.EBI Eur J Med Chem 175: 107-113 (2019) University of Zurich 2D 3D TSV
31075609 21 Exploring the effect of chirality on the therapeutic potential of N-alkyl-deoxyiminosugars: anti-inflammatory response to Pseudomonas aeruginosa infections for application in CF lung disease.EBI Eur J Med Chem 175: 63-71 (2019) University of Napoli Federico II 2D 3D TSV
31074988 95 Rational Design of 5-(4-(Isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine (VX-970, M6620): Optimization of Intra- and Intermolecular Polar Interactions of a New Ataxia Telangiectasia Mutated and Rad3-Related (ATR) Kinase Inhibitor.EBI J Med Chem 62: 5547-5561 (2019) Vertex Pharmaceuticals (Europe) Ltd. 2D 3D TSV
31074986 25 On the Process of Discovering Leads That Target the Heparin-Binding Site of Neutrophil Elastase in the Sputum of Cystic Fibrosis Patients.EBI J Med Chem 62: 5501-5511 (2019) Virginia Commonwealth University 2D 3D TSV
31074983 202 Conjugation of Short Peptides to Dibenzodiazepinone-Type Muscarinic Acetylcholine Receptor Ligands Determines MEBI J Med Chem 62: 5358-5369 (2019) University of Regensburg 2D 3D TSV
31074269 6 Mechanisms of Specific versus Nonspecific Interactions of Aggregation-Prone Inhibitors and Attenuators.EBI J Med Chem 62: 5063-5079 (2019) University Health Network 2D 3D TSV
31071549 80 5-Arylisothiazol-3(2H)-one-1,(1)-(di)oxides: A new class of selective tumor-associated carbonic anhydrases (hCA IX and XII) inhibitors.EBI Eur J Med Chem 175: 40-48 (2019) Universit£ de Reims Champagne-Ardenne 2D 3D TSV
31071548 5 Recent progress on the discovery of P2YEBI Eur J Med Chem 175: 34-39 (2019) China Pharmaceutical University 2D 3D TSV
31070916 14 Anti-metastatic Inhibitors of Lysyl Oxidase (LOX): Design and Structure-Activity Relationships.EBI J Med Chem 62: 5863-5884 (2019) The Institute of Cancer Research 2D 3D TSV
31062983 83 Exploiting Structural Dynamics To Design Open-Flap Inhibitors of Malarial Aspartic Proteases.EBI J Med Chem 62: 8931-8950 (2019) Latvian Institute of Organic Synthesis 2D 3D TSV
31062592 36 Falcipain Inhibitors Based on the Natural Product Gallinamide A Are Potent in Vitro and in Vivo Antimalarials.EBI J Med Chem 62: 5562-5578 (2019) The University of Sydney 2D 3D TSV
31059256 28 Design and Discovery of EBI J Med Chem 63: 2013-2027 (2020) Novartis Institutes for BioMedical Research 2D 3D TSV
31059248 20 Structure Guided Design, Synthesis, and Biological Evaluation of Novel Benzosuberene Analogues as Inhibitors of Tubulin Polymerization.EBI J Med Chem 62: 5594-5615 (2019) Baylor University 2D 3D TSV
31055149 22 A multifunctional therapeutic approach: Synthesis, biological evaluation, crystal structure and molecular docking of diversified 1H-pyrazolo[3,4-b]pyridine derivatives against Alzheimer's disease.EBI Eur J Med Chem 175: 2-19 (2019) Jamia Millia Islamia (Central University) 2D 3D TSV
31054862 14 1-Aryl-3-(4-methoxybenzyl)ureas as potentially irreversible glycogen synthase kinase 3 inhibitors: Synthesis and biological evaluation.EBI Bioorg Med Chem Lett 29: 1597-1600 (2019) Stellenbosch University 2D 3D TSV
31053508 34 Discovery of novel phenoxybenzamide analogues as Raf/HDAC dual inhibitors.EBI Bioorg Med Chem Lett 29: 1605-1608 (2019) China Pharmaceutical University 2D 3D TSV
31050898 38 The Trifluoromethyl Group as a Bioisosteric Replacement of the Aliphatic Nitro Group in CBEBI J Med Chem 62: 5049-5062 (2019) University of Aberdeen 2D 3D TSV
31050421 48 Overview of Recent Strategic Advances in Medicinal Chemistry.EBI J Med Chem 62: 9375-9414 (2019) Shandong University 2D 3D TSV
31048140 2 Acylated sulfonamide adenosines as potent inhibitors of the adenylate-forming enzyme superfamily.EBI Eur J Med Chem 174: 252-264 (2019) KU Leuven 2D 3D TSV
31047751 3 Design, synthesis and biological evaluation of novel antitumor spirodihydrothiopyran-oxindole derivatives.EBI Bioorg Med Chem Lett 29: 1636-1642 (2019) Shaanxi University of Science & Technology 2D 3D TSV
31047750 845 Dual-targeting GroEL/ES chaperonin and protein tyrosine phosphatase B (PtpB) inhibitors: A polypharmacology strategy for treating Mycobacterium tuberculosis infections.EBI Bioorg Med Chem Lett 29: 1665-1672 (2019) Indiana University School of Medicine 2D 3D TSV
31046271 21 Discovery of ( E)- NEBI J Med Chem 62: 5006-5024 (2019) Chinese Academy of Sciences 2D 3D TSV
31042618 26 Synthesis, in vitro and in vivo characterization of new benzoxazole and benzothiazole-based sigma receptor ligands.EBI Eur J Med Chem 174: 226-235 (2019) University of Catania 2D 3D TSV
31042381 166 Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.EBI J Med Chem 62: 5330-5357 (2019) St. John's University 2D 3D TSV
31042379 96 Hybridization of ?-Adrenergic Agonists and Antagonists Confers G Protein Bias.EBI J Med Chem 62: 5111-5131 (2019) Friedrich-Alexander University Erlangen-N£rnberg (FAU) 2D 3D TSV
31038950 104 Substituted Pyridazin-3(2 H)-ones as Highly Potent and Biased Formyl Peptide Receptor Agonists.EBI J Med Chem 62: 5242-5248 (2019) Monash University 2D 3D TSV
31038949 2 Cytotoxic Components from Hypericum elodeoides Targeting RXR? and Inducing HeLa Cell Apoptosis through Caspase-8 Activation and PARP Cleavage.EBI J Nat Prod 82: 1072-1080 (2019) Xiamen University 2D 3D TSV
31035240 22 InClEBI Eur J Med Chem 174: 198-215 (2019) University of Hyderabad Campus 2D 3D TSV
31035238 3 Small molecule PROTACs in targeted therapy: An emerging strategy to induce protein degradation.EBI Eur J Med Chem 174: 159-180 (2019) Shaoxing University 2D 3D TSV
31035236 2 Review of the molecular mechanisms of Ganoderma lucidum triterpenoids: Ganoderic acids A, C2, D, F, DM, X and Y.EBI Eur J Med Chem 174: 130-141 (2019) Shaanxi University of Science & Technology 2D 3D TSV
31034224 24 Discovery of Small Molecule Renal Outer Medullary Potassium (ROMK) Channel Inhibitors: A Brief History of Medicinal Chemistry Approaches To Develop Novel Diuretic Therapeutics.EBI J Med Chem 62: 8682-8694 (2019) University of Nebraska Medical Center 2D 3D TSV
31033293 77 Discovery, Optimization, and Evaluation of Potent and Highly Selective PI3K?-PI3K? Dual Inhibitors.EBI J Med Chem 62: 4936-4948 (2019) Hutchison MediPharma Limited 2D 3D TSV
31033289 8 Consideration of Binding Kinetics in the Design of Stapled Peptide Mimics of the Disordered Proteins Eukaryotic Translation Initiation Factor 4E-Binding Protein 1 and Eukaryotic Translation Initiation Factor 4G.EBI J Med Chem 62: 4967-4978 (2019) University of Michigan 2D 3D TSV
31031055 53 Synthesis and SAR development of quinoline analogs as novel P2X7 receptor antagonists.EBI Bioorg Med Chem Lett 29: 1660-1664 (2019) EMD Serono Research and Development Institute 2D 3D TSV
31029943 13 Benzoic acid-derived nitrones: A new class of potential acetylcholinesterase inhibitors and neuroprotective agents.EBI Eur J Med Chem 174: 116-129 (2019) University of Porto 2D 3D TSV
31029551 64 Design, synthesis and biological evaluation of novel chromeno[4,3-c]pyrazol-4(2H)-one derivates containing sulfonamido as potential PI3K? inhibitors.EBI Bioorg Med Chem 27: 2261-2267 (2019) School of Traditional Chinese Pharmacy 2D 3D TSV
31029550 42 Identification of potent farnesoid X receptor (FXR) antagonist showing favorable PK profile and distribution toward target tissues: Comprehensive understanding of structure-activity relationship of FXR antagonists.EBI Bioorg Med Chem 27: 2220-2227 (2019) Hiroshima International University 2D 3D TSV
31027708 2 Discovery of 4,6-bis(benzyloxy)-3-phenylbenzofuran as a novel Pin1 inhibitor to suppress hepatocellular carcinoma via upregulating microRNA biogenesis.EBI Bioorg Med Chem 27: 2235-2244 (2019) Sichuan University 2D 3D TSV
31026746 21 A combinatorial approach for the discovery of drug-like inhibitors of 15-lipoxygenase-1.EBI Eur J Med Chem 174: 45-55 (2019) University of Groningen 2D 3D TSV
31026162 25 Modification and Biological Evaluation of a Series of 1,5-Diaryl-1,2,4-triazole Compounds as Novel Agents against Pancreatic Cancer Metastasis through Targeting Myoferlin.EBI J Med Chem 62: 4949-4966 (2019) East China Normal University 2D 3D TSV
31023512 76 Lead generation of 1,2-dithiolanes as exon 19 and exon 21 mutant EGFR tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 29: 1435-1439 (2019) Sabila Biosciences LLC 2D 3D TSV
31022584 8 Discovery of novel acylhydrazone neuraminidase inhibitors.EBI Eur J Med Chem 173: 305-313 (2019) Shanghai Institute of Technology 2D 3D TSV
31022340 101 Discovery of Potent, Selective, and Short-Acting Peptidic VEBI J Med Chem 62: 4991-5005 (2019) Ferring Research Institute Inc. 2D 3D TSV
31021628 50 Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.EBI J Med Chem 62: 4979-4990 (2019) Chinese Academy of Sciences 2D 3D TSV
31021626 51 Structure-Based Design of Selective ?-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.EBI J Med Chem 62: 5080-5095 (2019) TBA 2D 3D TSV
31021617 136 Leveraging a Low-Affinity Diazaspiro Orthosteric Fragment to Reduce Dopamine DEBI J Med Chem 62: 5132-5147 (2019) University of Pennsylvania 2D 3D TSV
31017416 15 Pharmacological Chaperones for the Treatment of ?-Mannosidosis.EBI J Med Chem 62: 5832-5843 (2019) University of Sevilla 2D 3D TSV
31015103 2 1,2,4-Triazole-quinoline/quinolone hybrids as potential anti-bacterial agents.EBI Eur J Med Chem 174: 1-8 (2019) Henan University of Chinese Medicine 2D 3D TSV
31014912 34 Synthesis and biological evaluation of new HIV-1 protease inhibitors with purine bases as P2-ligands.EBI Bioorg Med Chem Lett 29: 1541-1545 (2019) Chinese Academy of Medical Science and Peking Union Medical College 2D 3D TSV
31014911 30 Investigation of biaryl heterocycles as inhibitors of Wee1 kinase.EBI Bioorg Med Chem Lett 29: 1481-1486 (2019) Global Pharmaceutical Research and Development 2D 3D TSV
31014565 84 Design, synthesis and biological evaluation of 4-aniline-thieno[2,3-d]pyrimidine derivatives as MNK1 inhibitors against renal cell carcinoma and nasopharyngeal carcinoma.EBI Bioorg Med Chem 27: 2268-2279 (2019) Chengdu Medical College 2D 3D TSV
31013427 209 Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.EBI J Med Chem 62: 5096-5110 (2019) GlaxoSmithKline 2D 3D TSV
31013090 39 Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.EBI J Med Chem 62: 4884-4901 (2019) Tetra Discovery Partners, Inc. 2D 3D TSV
31013087 4 Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.EBI J Nat Prod 82: 1114-1119 (2019) Shandong University at Weihai 2D 3D TSV
31012583 128 Challenges and Opportunities for Therapeutics Targeting the Voltage-Gated Sodium Channel Isoform NaEBI J Med Chem 62: 8695-8710 (2019) SiteOne Therapeutics 2D 3D TSV
31010722 69 3-Substituted Quinolines as ROR?t Inverse Agonists.EBI Bioorg Med Chem Lett 29: 1463-1470 (2019) Janssen Research and Development 2D 3D TSV
31009914 22 Synthesis of novel andrographolide beckmann rearrangement derivatives and evaluation of their HK2-related anti-inflammatory activities.EBI Eur J Med Chem 173: 282-293 (2019) Shenyang Pharmaceutical University 2D 3D TSV
31009912 5 Multitarget PPAR? agonists as innovative modulators of the metabolic syndrome.EBI Eur J Med Chem 173: 261-273 (2019) University of Chieti "G. d.Annunzio" 2D 3D TSV
31009908 28 Research progress in the biological activities of 3,4,5-trimethoxycinnamic acid (TMCA) derivatives.EBI Eur J Med Chem 173: 213-227 (2019) Northwest University 2D 3D TSV
31009559 50 Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.EBI J Med Chem 62: 4915-4935 (2019) Takeda Pharmaceutical Company Limited 2D 3D TSV
31006525 34 Synthesis and evaluation of the HIF-1? inhibitory activities of novel ursolic acid tetrazole derivatives.EBI Bioorg Med Chem Lett 29: 1440-1445 (2019) Yanbian University College of Pharmacy 2D 3D TSV
31005445 27 Identification and SAR exploration of a novel series of Legumain inhibitors.EBI Bioorg Med Chem Lett 29: 1546-1548 (2019) Queen's University Belfast 2D 3D TSV
31005444 8 Synthesis and in vitro biological evaluation of new P2X7R radioligands [EBI Bioorg Med Chem Lett 29: 1476-1480 (2019) Indiana University School of Medicine 2D 3D TSV
31005443 12 Design, synthesis of orally bioavailable novel anaplastic lymphoma kinase (ALK) inhibitor diphenylaminopyrimidine analogs and efficacy study on NCI-H2228 xenografts mice model.EBI Bioorg Med Chem Lett 29: 1514-1517 (2019) Arromax Pharmatech Co. Ltd. 2D 3D TSV
31005442 64 Structure guided drug design to develop kallikrein 5 inhibitors to treat Netherton syndrome.EBI Bioorg Med Chem Lett 29: 1454-1458 (2019) GlaxoSmithKline R&D 2D 3D TSV
31005056 36 Discovery of coumarin Mannich base derivatives as multifunctional agents against monoamine oxidase B and neuroinflammation for the treatment of Parkinson's disease.EBI Eur J Med Chem 173: 203-212 (2019) Institute of Materia Medica 2D 3D TSV
31003060 27 Design, synthesis and biological evaluation of novel thioquinazolinone-based 2-aminobenzamide derivatives as potent histone deacetylase (HDAC) inhibitors.EBI Eur J Med Chem 173: 185-202 (2019) Beijing University of Chemical Technology 2D 3D TSV
31002508 30 Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.EBI J Med Chem 62: 4483-4499 (2019) Texas A&M University 2D 3D TSV
31000406 17 Veratric acid derivatives containing benzylidene-hydrazine moieties as promising tyrosinase inhibitors and free radical scavengers.EBI Bioorg Med Chem 27: 2644-2651 (2019) Shiraz University of Medical Sciences 2D 3D TSV

BDB Curated by BindingDB
EBI Curated by ChEMBL