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PMIDDataArticle TitleCitationOrganizationData Download
32935104 12 Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19.BDB bioRxiv (2020) Pfizer Inc. 2D 3D TSV
32852058 301 The recent outbreaks of human coronaviruses: A medicinal chemistry perspective.BDB Med Res Rev (2020) University of Bonn 2D 3D TSV
32803196 48 Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening.BDB bioRxiv (2020) National Institutes of Health 2D 3D TSV
32747425 43 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.BDB Sci Transl Med 12: (2020) Wichita State University 2D 3D TSV
32428392 7 Characterization and Noncovalent Inhibition of the Deubiquitinase and deISGylase Activity of SARS-CoV-2 Papain-Like Protease.BDB ACS Infect Dis 6: 2099-2109 (2020) University of Georgia 2D 3D TSV
32369358 143 Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.EBI J Med Chem 63: 4978-4996 (2020) University of Toronto 2D 3D TSV
32367723 22 Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor.EBI J Med Chem 63: 5477-5487 (2020) Icahn School of Medicine at Mount Sinai 2D 3D TSV
32366720 53 Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs.BDB Antimicrob Agents Chemother 64: (2020) Institut Pasteur Korea 2D 3D TSV
32364733 32 Heterodimeric Analogues of the Potent Y1R Antagonist 1229U91, Lacking One of the Pharmacophoric C-Terminal Structures, Retain Potent Y1R Affinity and Show Improved Selectivity over Y4R.EBI J Med Chem 63: 5274-5286 (2020) Monash University (Parkville Campus) 2D 3D TSV
32364386 184 Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.EBI J Med Chem 63: 5185-5200 (2020) University of Florence 2D 3D TSV
32353859 59 A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.EBI Nature 583: 459-468 (2020) QBI COVID-19 Research Group (QCRG) 2D 3D TSV
32352777 8 Design, Synthesis, and Biological Evaluation of HSP90 Inhibitor-SN38 Conjugates for Targeted Drug Accumulation.EBI J Med Chem 63: 5421-5441 (2020) East China Normal University 2D 3D TSV
32348139 13 Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.EBI J Med Chem 63: 4867-4879 (2020) Purdue University 2D 3D TSV
32347094 10 Discovery of Novel Fungal Lanosterol 14?-Demethylase (CYP51)/Histone Deacetylase Dual Inhibitors to Treat Azole-Resistant Candidiasis.EBI J Med Chem 63: 5341-5359 (2020) Second Military Medical University 2D 3D TSV
32342688 78 Optimization of Hydantoins as Potent Antimycobacterial Decaprenylphosphoryl-?-d-Ribose Oxidase (DprE1) Inhibitors.EBI J Med Chem 63: 5367-5386 (2020) University of Antwerp 2D 3D TSV
32342685 325 Discovery, Optimization, and Characterization of ML417: A Novel and Highly Selective DEBI J Med Chem 63: 5526-5567 (2020) National Institute of Neurological Disorders and Stroke 2D 3D TSV
32340447 9 Synthesis and Biochemical Evaluation of Noncyclic Nucleotide Exchange Proteins Directly Activated by cAMP 1 (EPAC1) Regulators.EBI J Med Chem 63: 5159-5184 (2020) University of Texas Medical Branch 2D 3D TSV
32338903 15 Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with Strong EBI J Med Chem 63: 4997-5010 (2020) TBA 2D 3D TSV
32337993 11 Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.EBI J Med Chem 63: 5488-5500 (2020) University of Bath 2D 3D TSV
32330040 58 Discovery and Development of S6821 and S7958 as Potent TAS2R8 Antagonists.EBI J Med Chem 63: 4957-4977 (2020) Firmenich SA 2D 3D TSV
32329617 36 Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.EBI J Med Chem 63: 5324-5340 (2020) Yale University 2D 3D TSV
32324999 110 Discovery of EBI J Med Chem 63: 5585-5623 (2020) AbbVie Inc. 2D 3D TSV
32321856 4 Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.BDB Science 368: 1331-1335 (2020) Shanghai Institute of Materia Medica 2D 3D TSV
32321249 138 Design of Hydrazide-Bearing HDACIs Based on Panobinostat and Their p53 and FLT3-ITD Dependency in Antileukemia Activity.EBI J Med Chem 63: 5501-5525 (2020) Ocean University of China 2D 3D TSV
32321240 179 Optimization of Potent ATAD2 and CECR2 Bromodomain Inhibitors with an Atypical Binding Mode.EBI J Med Chem 63: 5212-5241 (2020) University of Strathclyde 2D 3D TSV
32315177 7 Synthesis and Structure-Activity Relationships of Arylsulfonamides as AIMP2-DX2 Inhibitors for the Development of a Novel Anticancer Therapy.EBI J Med Chem 63: 5139-5158 (2020) Dongguk University-Seoul 2D 3D TSV
32314924 44 Discovery, Structure-Activity Relationship, and Biological Activity of Histone-Competitive Inhibitors of Histone Acetyltransferases P300/CBP.EBI J Med Chem 63: 4716-4731 (2020) Avera Institute for Human Genetics 2D 3D TSV
32302139 11 Triazolo-Peptidomimetics: Novel Radiolabeled Minigastrin Analogs for Improved Tumor Targeting.EBI J Med Chem 63: 4484-4495 (2020) ETH Zurich 2D 3D TSV
32302132 74 Design and Characterization of the First Selective and Potent Mechanism-Based Inhibitor of Cytochrome P450 4Z1.EBI J Med Chem 63: 4824-4836 (2020) University of Washington 2D 3D TSV
32302123 114 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.EBI J Med Chem 63: 4528-4554 (2020) Northwestern University 2D 3D TSV
32302115 12 A Chemical Switch for Transforming a Purine Agonist for Toll-like Receptor 7 to a Clinically Relevant Antagonist.EBI J Med Chem 63: 4776-4789 (2020) CSIR-Indian Institute of Chemical Biology 2D 3D TSV
32298120 52 Discovery and Structure-Activity Relationship Study of (EBI J Med Chem 63: 4880-4895 (2020) Dana-Farber Cancer Institute 2D 3D TSV
32298114 14 Bioisosteric Discovery of NPA101.3, a Second-Generation RET/VEGFR2 Inhibitor Optimized for Single-Agent Polypharmacology.EBI J Med Chem 63: 4506-4516 (2020) Universit£ di Napoli "Federico II" 2D 3D TSV
32298111 16 Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.EBI J Med Chem 63: 4790-4810 (2020) Shandong University 2D 3D TSV
32297747 1 Structure-Activity Relationship of SPOP Inhibitors against Kidney Cancer.EBI J Med Chem 63: 4849-4866 (2020) Chinese Academy of Sciences 2D 3D TSV
32297743 59 Discovery of (2EBI J Med Chem 63: 4517-4527 (2020) AstraZeneca 2D 3D TSV
32293182 64 Structure-Based Bioisosterism Yields HIV-1 NNRTIs with Improved Drug-Resistance Profiles and Favorable Pharmacokinetic Properties.EBI J Med Chem 63: 4837-4848 (2020) Shandong University 2D 3D TSV
32292562 73 Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.EBI ACS Med Chem Lett 11: 541-549 (2020) Genentech 2D 3D TSV
32292560 15 Discovery of [1,2,4]Triazolo[1,5-EBI ACS Med Chem Lett 11: 528-534 (2020) Teijin Pharma Limited 2D 3D TSV
32292556 41 Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETEBI ACS Med Chem Lett 11: 497-505 (2020) University of Manchester 2D 3D TSV
32292546 16 Discovery and Pharmacokinetics of Sulfamides and Guanidines as Potent Human Arginase 1 Inhibitors.EBI ACS Med Chem Lett 11: 433-438 (2020) OncoArendi Therapeutics 2D 3D TSV
32292544 5 Ahp-Cyclodepsipeptide Inhibitors of Elastase: Lyngbyastatin 7 Stability, Scalable Synthesis, and Focused Library Analysis.EBI ACS Med Chem Lett 11: 419-425 (2020) University of Florida 2D 3D TSV
32292542 6 Selective Estrogen Receptor Degraders for the Potential Treatment of Cancer.EBI ACS Med Chem Lett 11: 412-413 (2020) Usona Institute 2D 3D TSV
32292541 9 Bifunctional Pyrimidines as Modulators of Focal Adhesion Kinase.EBI ACS Med Chem Lett 11: 409-411 (2020) Usona Institute 2D 3D TSV
32292540 8 Cereblon Based Immunomodulatory Therapeutics.EBI ACS Med Chem Lett 11: 407-408 (2020) Usona Institute 2D 3D TSV
32290657 4 Discovery of a Dual Tubulin Polymerization and Cell Division Cycle 20 Homologue Inhibitor via Structural Modification on Apcin.EBI J Med Chem 63: 4685-4700 (2020) Central South University 2D 3D TSV
32286062 24 Both d- and l-Glucose Polyphosphates Mimic d-EBI J Med Chem 63: 5442-5457 (2020) University of Oxford 2D 3D TSV
32282200 320 Design and Synthesis of Bitopic 2-Phenylcyclopropylmethylamine (PCPMA) Derivatives as Selective Dopamine D3 Receptor Ligands.EBI J Med Chem 63: 4579-4602 (2020) ShanghaiTech University 2D 3D TSV
32275432 49 Achieving EBI J Med Chem 63: 4047-4068 (2020) TBA 2D 3D TSV
32275415 2 MymA Bioactivated Thioalkylbenzoxazole Prodrug Family Active against EBI J Med Chem 63: 4732-4748 (2020) GlaxoSmithKline 2D 3D TSV
32272481 9 Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors BDB Nature 582: 289-293 (2020) ShanghaiTech University 2D 3D TSV
32271569 76 Truncated (N)-Methanocarba Nucleosides as Partial Agonists at Mouse and Human AEBI J Med Chem 63: 4334-4348 (2020) Medical College of Wisconsin 2D 3D TSV
32267688 52 A Selective Modulator of Peroxisome Proliferator-Activated Receptor ? with an Unprecedented Binding Mode.EBI J Med Chem 63: 4555-4561 (2020) Goethe-University Frankfurt 2D 3D TSV
32267687 37 Discovery of Peptide Boronate Derivatives as Histone Deacetylase and Proteasome Dual Inhibitors for Overcoming Bortezomib Resistance of Multiple Myeloma.EBI J Med Chem 63: 4701-4715 (2020) Shandong University 2D 3D TSV
32255647 73 Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.EBI J Med Chem 63: 5242-5256 (2020) University of Texas Medical Branch 2D 3D TSV
32253226 4 An orally bioavailable broad-spectrum antiviral inhibits SARS-CoV-2 in human airway epithelial cell cultures and multiple coronaviruses in mice.BDB Sci Transl Med 12: 1-15 (2020) University of North Carolina at Chapel Hill 2D 3D TSV
32250117 27 Interrogating the Lactate Dehydrogenase Tetramerization Site Using (Stapled) Peptides.EBI J Med Chem 63: 4628-4643 (2020) Universit£ Catholique de Louvain (UCLouvain) 2D 3D TSV
32243152 6 Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.EBI J Med Chem 63: 4293-4305 (2020) Dana-Farber Cancer Institute 2D 3D TSV
32240584 7 Fragment-Based Design of EBI J Med Chem 63: 4749-4761 (2020) University of Cambridge 2D 3D TSV
32233366 32 Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface.EBI J Med Chem 63: 4117-4132 (2020) The University of Tokyo 2D 3D TSV
32227886 6 Use of Non-Natural Amino Acids for the Design and Synthesis of a Selective, Cell-Permeable MALT1 Activity-Based Probe.EBI J Med Chem 63: 3996-4004 (2020) KU Leuven 2D 3D TSV
32223240 22 Imidazo[1,2-EBI J Med Chem 63: 4603-4616 (2020) University of Pisa 2D 3D TSV
32223235 12 Discovery of Selective Small Molecule Degraders of BRAF-V600E.EBI J Med Chem 63: 4069-4080 (2020) Cullgen Inc. 2D 3D TSV
32223194 5 Small-Molecule Antagonist Targeting Exportin-1 via Rational Structure-Based Discovery.EBI J Med Chem 63: 3881-3895 (2020) Dalian University of Technology 2D 3D TSV
32223141 16 Tellurides Bearing Sulfonamides as Novel Inhibitors of Leishmanial Carbonic Anhydrase with Potent Antileishmanial Activity.EBI J Med Chem 63: 4306-4314 (2020) University of Florence 2D 3D TSV
32216347 17 Modulating Heparanase Activity: Tuning Sulfation Pattern and Glycosidic Linkage of Oligosaccharides.EBI J Med Chem 63: 4227-4255 (2020) Wayne State University 2D 3D TSV
32216342 58 Discovery of a Potent and Selective NF-?B-Inducing Kinase (NIK) Inhibitor That Has Anti-inflammatory Effects in Vitro and in Vivo.EBI J Med Chem 63: 4388-4407 (2020) Chinese Academy of Sciences 2D 3D TSV
32212732 147 Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.EBI J Med Chem 63: 3935-3955 (2020) Arcus Biosciences, Inc. 2D 3D TSV
32212730 206 Design, Synthesis, and Biological Evaluation of Quinazolin-4-one-Based Hydroxamic Acids as Dual PI3K/HDAC Inhibitors.EBI J Med Chem 63: 4256-4292 (2020) National Center for Advancing Translational Sciences 2D 3D TSV
32208684 6 2-Aminophenylpyrimidines as Novel Inhibitors of Aminoacyl-tRNA Synthetase Interacting Multifunctional Protein 2 (AIMP2)-DX2 for Lung Cancer Treatment.EBI J Med Chem 63: 3908-3914 (2020) CHA University 2D 3D TSV
32208614 7 CN128: A New Orally Active Hydroxypyridinone Iron Chelator.EBI J Med Chem 63: 4215-4226 (2020) Zhejiang University 2D 3D TSV
32208600 102 Discovery of 8-Methyl-pyrrolo[1,2-EBI J Med Chem 63: 3956-3975 (2020) Chinese Academy of Sciences 2D 3D TSV
32202790 160 Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.EBI J Med Chem 63: 4183-4204 (2020) Japanese Foundation for Cancer Research 2D 3D TSV
32202782 70 GSK2818713, a Novel Biphenylene Scaffold-Based Hepatitis C NS5A Replication Complex Inhibitor with Broad Genotype Coverage.EBI J Med Chem 63: 4155-4170 (2020) GlaxoSmithKline 2D 3D TSV
32198291 3 Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved ?-ketoamide inhibitors.BDB Science 368: 409-412 (2020) University of Lubeck 2D 3D TSV
32196342 20 Design, Synthesis, Dynamic Docking, Biochemical Characterization, and EBI J Med Chem 63: 3508-3521 (2020) Istituto Italiano di Tecnologia 2D 3D TSV
32196340 74 Lead Optimization of Phthalazinone Phosphodiesterase Inhibitors as Novel Antitrypanosomal Compounds.EBI J Med Chem 63: 3485-3507 (2020) University of Antwerp 2D 3D TSV
32184974 222 Structure-Functional-Selectivity Relationship Studies of Novel Apomorphine Analogs to Develop D1R/D2R Biased Ligands.EBI ACS Med Chem Lett 11: 385-392 (2020) Duke University 2D 3D TSV
32184973 105 Design and Optimization of 3'-(Imidazo[1,2-EBI ACS Med Chem Lett 11: 379-384 (2020) Jinan University 2D 3D TSV
32184972 4 Optimization of Small Molecules That Sensitize HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.EBI ACS Med Chem Lett 11: 371-378 (2020) University of Pennsylvania 2D 3D TSV
32184971 20 Development of a Versatile and Sensitive Direct Ligand Binding Assay for Human NR5A Nuclear Receptors.EBI ACS Med Chem Lett 11: 365-370 (2020) Emory University 2D 3D TSV
32184970 55 Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.EBI ACS Med Chem Lett 11: 358-364 (2020) Gilead Sciences, Inc. 2D 3D TSV
32184968 36 Structure-Activity Relationship Study of Covalent Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.EBI ACS Med Chem Lett 11: 346-352 (2020) Dana-Farber Cancer Institute 2D 3D TSV
32184967 161 SGC-AAK1-1: A Chemical Probe Targeting AAK1 and BMP2K.EBI ACS Med Chem Lett 11: 340-345 (2020) University of North Carolina at Chapel Hill (UNC-CH) 2D 3D TSV
32184966 13 An Alkyne-functionalized Arginine for Solid-Phase Synthesis Enabling "Bioorthogonal" Peptide Conjugation.EBI ACS Med Chem Lett 11: 334-339 (2020) University of Regensburg 2D 3D TSV
32184965 36 Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity.EBI ACS Med Chem Lett 11: 327-333 (2020) Genentech 2D 3D TSV
32184962 17 Regioisomeric Family of Novel Fluorescent Substrates for SHIP2.EBI ACS Med Chem Lett 11: 309-315 (2020) School of Biological Sciences, UEA 2D 3D TSV
32184961 1 Spiro-oxindole Piperidines and 3-(Azetidin-3-yl)-1EBI ACS Med Chem Lett 11: 303-308 (2020) Division of Janssen-Cilag S.A. 2D 3D TSV
32184960 34 Design of Dual Inhibitors of Soluble Epoxide Hydrolase and LTAEBI ACS Med Chem Lett 11: 298-302 (2020) Goethe University Frankfurt 2D 3D TSV
32184956 59 Single Nucleotide Polymorphisms in the Melanocortin His-Phe-Arg-Trp Sequences Decrease Tetrapeptide Potency and Efficacy.EBI ACS Med Chem Lett 11: 272-277 (2020) University of Minnesota 2D 3D TSV
32184955 49 Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.EBI ACS Med Chem Lett 11: 266-271 (2020) Bristol-Myers Squibb Research & Development 2D 3D TSV
32176488 48 Lead Optimization of Benzoxazolone Carboxamides as Orally Bioavailable and CNS Penetrant Acid Ceramidase Inhibitors.EBI J Med Chem 63: 3634-3664 (2020) University of Illinois at Chicago 2D 3D TSV
32162512 9 TREK Channel Family Activator with a Well-Defined Structure-Activation Relationship for Pain and Neurogenic Inflammation.EBI J Med Chem 63: 3665-3677 (2020) East China Normal University 2D 3D TSV
32160459 8 Garcinoic Acid Is a Natural and Selective Agonist of Pregnane X Receptor.EBI J Med Chem 63: 3701-3712 (2020) University of Perugia 2D 3D TSV
32159953 18 Investigation of Inactive-State ? Opioid Receptor Homodimerization via Single-Molecule Microscopy Using New Antagonistic Fluorescent Probes.EBI J Med Chem 63: 3596-3609 (2020) Julius Maximilian University of W£rzburg 2D 3D TSV
32153186 118 Discovery of Thieno[2,3-EBI J Med Chem 63: 3678-3700 (2020) Sichuan University and Collaborative Innovation Center of Biotherapy 2D 3D TSV
32150677 32 Discovery of Highly Potent Benzimidazole Derivatives as Indoleamine 2,3-Dioxygenase-1 (IDO1) Inhibitors: From Structure-Based Virtual Screening to EBI J Med Chem 63: 3047-3065 (2020) Universit£ del Piemonte Orientale 2D 3D TSV
32150414 58 Bicyclic ?-Iminophosphonates as High Affinity Imidazoline IEBI J Med Chem 63: 3610-3633 (2020) University of Barcelona 2D 3D TSV
32142284 25 Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.EBI J Med Chem 63: 3215-3226 (2020) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
32141297 95 Structure-Activity Relationship Studies of Tetrahydroquinolone Free Fatty Acid Receptor 3 Modulators.EBI J Med Chem 63: 3577-3595 (2020) University of Copenhagen 2D 3D TSV
32134652 57 Identification of Potent EBI J Med Chem 63: 3188-3204 (2020) The University of Tokyo 2D 3D TSV
32134643 66 Discovery of a Gut-Restricted JAK Inhibitor for the Treatment of Inflammatory Bowel Disease.EBI J Med Chem 63: 2915-2929 (2020) Janssen Research and Development 2D 3D TSV
32134266 15 Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase.EBI J Med Chem 63: 3538-3551 (2020) Indiana University School of Medicine 2D 3D TSV
32125159 60 Peptidomimetic Vinyl Heterocyclic Inhibitors of Cruzain Effect Antitrypanosomal Activity.EBI J Med Chem 63: 3298-3316 (2020) Texas A&M University 2D 3D TSV
32124607 5 Calorimetric Studies of Binary and Ternary Molecular Interactions between Transthyretin, A? Peptides, and Small-Molecule Chaperones toward an Alternative Strategy for Alzheimer's Disease Drug Discovery.EBI J Med Chem 63: 3205-3214 (2020) Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.) 2D 3D TSV
32118427 205 Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.EBI J Med Chem 63: 4655-4684 (2020) Monash University (Parkville Campus) 2D 3D TSV
32115956 46 Discovery and Optimization of ?-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.EBI J Med Chem 63: 3370-3380 (2020) Guangzhou University of Chinese Medicine 2D 3D TSV
32109056 7 Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.EBI J Med Chem 63: 3348-3358 (2020) GlaxoSmithKline 2D 3D TSV
32105470 43 Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.EBI J Med Chem 63: 2894-2914 (2020) Monash University 2D 3D TSV
32105467 18 Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.EBI J Med Chem 63: 4617-4627 (2020) Academia Sinica 2D 3D TSV
32101438 20 Dimerization of ?-Conotoxins as a Strategy to Enhance the Inhibition of the Human ?7 and ?9?10 Nicotinic Acetylcholine Receptors.EBI J Med Chem 63: 2974-2985 (2020) Ocean University of China 2D 3D TSV
32097010 19 Novel ?- and ?-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.EBI J Med Chem 63: 3261-3273 (2020) Korea University 2D 3D TSV
32096640 48 Evolution of a 4-Benzyloxy-benzylamino Chemotype to Provide Efficacious, Potent, and Isoform Selective PPAR? Agonists as Leads for Retinal Disorders.EBI J Med Chem 63: 2854-2876 (2020) University of Oklahoma 2D 3D TSV
32091206 22 Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.EBI J Med Chem 63: 3227-3237 (2020) Moffitt Cancer Center 2D 3D TSV
32084316 3 Discovery of 4,6-EBI J Med Chem 63: 2877-2893 (2020) Hubei University of Technology 2D 3D TSV
32083858 145 Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.EBI J Med Chem 63: 5102-5118 (2020) TBA 2D 3D TSV
32081010 18 Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.EBI J Med Chem 63: 2620-2637 (2020) Bristol-Myers Squibb Research and Development 2D 3D TSV
32073266 33 DNA-Encoded Library Technology-Based Discovery, Lead Optimization, and Prodrug Strategy toward Structurally Unique Indoleamine 2,3-Dioxygenase-1 (IDO1) Inhibitors.EBI J Med Chem 63: 3552-3562 (2020) GlaxoSmithKline 2D 3D TSV
32071687 31 Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.EBI ACS Med Chem Lett 11: 188-194 (2020) Novartis Institutes for BioMedical Research 2D 3D TSV
32071686 64 Discovery of Hydroxyamidine Based Inhibitors of IDO1 for Cancer Immunotherapy with Reduced Potential for Glucuronidation.EBI ACS Med Chem Lett 11: 179-187 (2020) Phenex Pharmaceuticals AG 2D 3D TSV
32071685 40 Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF?R1 Inhibitor as an Immuno-oncology Agent.EBI ACS Med Chem Lett 11: 172-178 (2020) Bristol-Myers Squibb Research & Development 2D 3D TSV
32071684 7 Discovery of a New Sulfonamide Hepatitis B Capsid Assembly Modulator.EBI ACS Med Chem Lett 11: 166-171 (2020) Korea Research Institute of Chemical Technology 2D 3D TSV
32071680 5 Design and Catalyzed Activation of Tak-242 Prodrugs for Localized Inhibition of TLR4-Induced Inflammation.EBI ACS Med Chem Lett 11: 141-146 (2020) Baylor University 2D 3D TSV
32071679 100 Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.EBI ACS Med Chem Lett 11: 133-140 (2020) GlaxoSmithKline 2D 3D TSV
32071678 6 Discovery of 4-Piperazine Isoquinoline Derivatives as Potent and Brain-Permeable Tau Prion Inhibitors with CDK8 Activity.EBI ACS Med Chem Lett 11: 127-132 (2020) University of California 2D 3D TSV
32071676 52 Discovery of EBI ACS Med Chem Lett 11: 114-119 (2020) Merck & Co., Inc. 2D 3D TSV
32071674 30 Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.EBI ACS Med Chem Lett 11: 101-107 (2020) Agios Pharmaceuticals, Inc. 2D 3D TSV
32069401 27 Design, Synthesis, and Biological Evaluation of Imidazo[1,2-EBI J Med Chem 63: 3028-3046 (2020) East China Normal University 2D 3D TSV
32069052 2 Optimization of 4-Aminopiperidines as Inhibitors of Influenza A Viral Entry That Are Synergistic with Oseltamivir.EBI J Med Chem 63: 3120-3130 (2020) University of Illinois at Chicago 2D 3D TSV
32057241 14 Novel, Self-Assembling Dimeric Inhibitors of Human ? Tryptase.EBI J Med Chem 63: 3004-3027 (2020) Weill Cornell Medicine 2D 3D TSV
32052631 22 d-EBI J Med Chem 63: 3238-3251 (2020) University of Oxford 2D 3D TSV
32049522 1 Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.EBI J Med Chem 63: 3252-3260 (2020) University of Oxford 2D 3D TSV
32045236 34 2-Substituted ?,?-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.EBI J Med Chem 63: 2941-2957 (2020) University of Bonn 2D 3D TSV
32038769 36 Synthesis and Evaluation of Bicyclic Hydroxypyridones as Inhibitors of Catechol EBI ACS Med Chem Lett 10: 1573-1578 (2019) Lieber Institute for Brain Development 2D 3D TSV
32037829 32 Synthetic Lethality in Pancreatic Cancer: Discovery of a New RAD51-BRCA2 Small Molecule Disruptor That Inhibits Homologous Recombination and Synergizes with Olaparib.EBI J Med Chem 63: 2588-2619 (2020) Istituto Italiano di Tecnologia 2D 3D TSV
32031803 8 Preclinical Optimization of gp120 Entry Antagonists as anti-HIV-1 Agents with Improved Cytotoxicity and ADME Properties through Rational Design, Synthesis, and Antiviral Evaluation.EBI J Med Chem 63: 1724-1749 (2020) Lindsley F. Kimball Research Institute 2D 3D TSV
32031798 18 Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockers EBI J Med Chem 63: 3104-3119 (2020) Sichuan University 2D 3D TSV
32031797 96 Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.EBI J Med Chem 63: 3317-3326 (2020) University of Wollongong 2D 3D TSV
32030982 14 The Other Angiotensin II Receptor: ATEBI J Med Chem 63: 1978-1995 (2020) Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL) 2D 3D TSV
32030976 66 Sarco/Endoplasmic Reticulum Calcium ATPase Inhibitors: Beyond Anticancer Perspective.EBI J Med Chem 63: 1937-1963 (2020) University of Chemistry and Technology Prague 2D 3D TSV
32023060 19 Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASEBI J Med Chem 63: 4468-4483 (2020) AstraZeneca 2D 3D TSV
32022560 12 Lead Optimization and Avoidance of Reactive Metabolite Leading to PCO371, a Potent, Selective, and Orally Available Human Parathyroid Hormone Receptor 1 (hPTHR1) Agonist.EBI J Med Chem 63: 5089-5099 (2020) Chugai Pharmaceutical Co., Ltd. 2D 3D TSV
32011145 12 Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?EBI J Med Chem 63: 3274-3289 (2020) Philipps-University Marburg 2D 3D TSV
32003991 36 Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.EBI J Med Chem 63: 1576-1596 (2020) Czech Academy of Sciences 2D 3D TSV
32003560 21 Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human ?-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.EBI J Med Chem 63: 2986-3003 (2020) Icahn School of Medicine at Mount Sinai 2D 3D TSV

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