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PMID	Data	Article Title	Citation	Organization	Data Download
32945812	79	Discovery of Vixotrigine: A Novel Use-Dependent Sodium Channel Blocker for the Treatment of Trigeminal Neuralgia.	ACS Med Chem Lett 11: 1678-1687 (2020)	Convergence Pharmaceuticals Ltd.	2D 3D TSV
32944143	89	Discovery of Potent and Orally Bioavailable Small Molecule Antagonists of Toll-like Receptors 7/8/9 (TLR7/8/9).	ACS Med Chem Lett 11: 1751-1758 (2020)	Princ	2D 3D TSV
32944141	4	Facile Synthesis of Aminomethyl Phosphinate Esters as Serine Protease Inhibitors with Primed Site Interaction.	ACS Med Chem Lett 11: 1739-1744 (2020)	KU Leuven	2D 3D TSV
32944139	9	Insights into the Molecular Determinants Involved in Urocontrin and Urocontrin A Action.	ACS Med Chem Lett 11: 1717-1722 (2020)	Universit£ du Qu£bec	2D 3D TSV
32944136	4	Identification of Novel Rho-Kinase-II Inhibitors with Vasodilatory Activity.	ACS Med Chem Lett 11: 1694-1703 (2020)	Banasthali Vidyapith	2D 3D TSV
32944135	12	Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).	ACS Med Chem Lett 11: 1688-1693 (2020)	Merck & Co.	2D 3D TSV
32944134	12	Novel 4-Heteroarylcarbonyl-N-(phenyl or heteroaryl) Piperidine-1-carboxamides as Tankyrase Inhibitors.	ACS Med Chem Lett 11: 1676-1677 (2020)	Lauren Mccallister	2D 3D TSV
32944132	6	Novel Cyclic Tetramer Compounds as PCSK9 Inhibitors for Treating Metabolic Disorders.	ACS Med Chem Lett 11: 1671-1673 (2020)	Lauren Mccallister	2D 3D TSV
32935104	12	Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19.	bioRxiv (2020)	Pfizer Inc.	2D 3D TSV
32866001	19	Bioinspired Hybrid Fluorescent Ligands for the FK1 Domain of FKBP52.	J Med Chem 63: 10330-10338 (2020)	Universit£ Paris-Saclay	2D 3D TSV
32852058	301	The recent outbreaks of human coronaviruses: A medicinal chemistry perspective.	Med Res Rev (2020)	University of Bonn	2D 3D TSV
32847363	66	Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.	J Med Chem 63: 10396-10411 (2020)	Gifu Pharmaceutical University	2D 3D TSV
32832032	12	Mining Public Domain Data to Develop Selective DYRK1A Inhibitors.	ACS Med Chem Lett 11: 1620-1626 (2020)	University of Sussex	2D 3D TSV
32832028	47	Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.	ACS Med Chem Lett 11: 1588-1597 (2020)	Genentech	2D 3D TSV
32832027	51	GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family.	ACS Med Chem Lett 11: 1581-1587 (2020)	GlaxoSmithKline Medicines Research Centre	2D 3D TSV
32832026	19	Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.	ACS Med Chem Lett 11: 1573-1580 (2020)	University of Zurich	2D 3D TSV
32832025	20	Identification and Development of 1,4-Diaryl-1,2,3-triazolo-Based Ureas as Novel FLT3 Inhibitors.	ACS Med Chem Lett 11: 1567-1572 (2020)	Jinan University	2D 3D TSV
32832023	24	Virtual Screening for Ligand Discovery at the ?	ACS Med Chem Lett 11: 1555-1561 (2020)	Harvard Medical School	2D 3D TSV
32832022	33	Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.	ACS Med Chem Lett 11: 1548-1554 (2020)	Merck & Co. Inc.	2D 3D TSV
32832020	1	From Bacteria to Cancer: A Benzothiazole-Based DNA Gyrase B Inhibitor Redesigned for Hsp90 C-Terminal Inhibition.	ACS Med Chem Lett 11: 1535-1538 (2020)	The University of Notre Dame	2D 3D TSV
32832019	2	Elucidation of Mechanism for Ligand Efficacy at Leukotriene B	ACS Med Chem Lett 11: 1529-1534 (2020)	inCerebro Co., Ltd.	2D 3D TSV
32832018	34	Fluorescent H	ACS Med Chem Lett 11: 1521-1528 (2020)	University of Regensburg	2D 3D TSV
32816483	10	Synthesis and Anti-HCV Activity of Sugar-Modified Guanosine Analogues: Discovery of	J Med Chem 63: 10380-10395 (2020)	Janssen BioPharma, Inc.	2D 3D TSV
32815361	270	Design, Synthesis, and Pharmacological Characterization of Heterobivalent Ligands for the Putative 5-HT	J Med Chem 63: 9928-9949 (2020)	University of Copenhagen	2D 3D TSV
32803196	48	Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening.	bioRxiv (2020)	National Institutes of Health	2D 3D TSV
32787145	72	Structure-Based Design of a Bromodomain and Extraterminal Domain (BET) Inhibitor Selective for the N-Terminal Bromodomains That Retains an Anti-inflammatory and Antiproliferative Phenotype.	J Med Chem 63: 9020-9044 (2020)	GSK	2D 3D TSV
32787142	88	Exploration of Alternative Scaffolds for P2Y	J Med Chem 63: 9563-9589 (2020)	National Institute of Diabetes and Digestive and Kidney Diseases	2D 3D TSV
32787138	224	Structure-Activity Relationship Studies of ?-Ketoamides as Inhibitors of the Phospholipase A and Acyltransferase Enzyme Family.	J Med Chem 63: 9340-9359 (2020)	Leiden University & Oncode Institute	2D 3D TSV
32787113	9	Discovery and Biological Evaluation of a Novel Highly Potent Selective Butyrylcholinsterase Inhibitor.	J Med Chem 63: 10030-10044 (2020)	China Pharmaceutical University	2D 3D TSV
32787109	45	Exploration of TRPM8 Binding Sites by ?-Carboline-Based Antagonists and Their In Vitro Characterization and In Vivo Analgesic Activities.	J Med Chem 63: 9672-9694 (2020)	University of Salerno	2D 3D TSV
32787107	85	Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.	J Med Chem 63: 9464-9483 (2020)	University College London	2D 3D TSV
32787093	109	Tumor-Activated Benzothiazole Inhibitors of Stearoyl-CoA Desaturase.	J Med Chem 63: 9773-9786 (2020)	UT Southwestern Medical Center	2D 3D TSV
32787090	2	Structural Analysis of VDR Complex with ZK168281 Antagonist.	J Med Chem 63: 9457-9463 (2020)	Institut de G£n£tique et de Biologie Mol£culaire et Cellulaire (IGBMC)	2D 3D TSV
32787087	215	Highly Potent and Selective	J Med Chem 63: 9212-9227 (2020)	Purdue University	2D 3D TSV
32787083	172	Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.	J Med Chem 63: 10061-10085 (2020)	Ontario Institute for Cancer Research	2D 3D TSV
32787077	23	Discovery of Potent Small-Molecule SIRT6 Activators: Structure-Activity Relationship and Anti-Pancreatic Ductal Adenocarcinoma Activity.	J Med Chem 63: 10474-10495 (2020)	Sichuan University	2D 3D TSV
32787075	163	Identification and Optimization of Pyrrolidine Derivatives as Highly Potent Ghrelin Receptor Full Agonists.	J Med Chem 63: 9705-9730 (2020)	AstraZeneca	2D 3D TSV
32786237	39	Generation of Leads for ?-Secretase Modulation.	J Med Chem 63: 8216-8230 (2020)	Merck & Co.	2D 3D TSV
32786235	87	Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists Using a Biochemical TLR8 Antagonist Competition Assay.	J Med Chem 63: 8276-8295 (2020)	Genomics Institute of the Novartis Research Foundation	2D 3D TSV
32747425	43	3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.	Sci Transl Med 12: (2020)	Wichita State University	2D 3D TSV
32706964	39	Stepwise Design of ?-Secretase Modulators with an Advanced Profile by Judicious Coordinated Structural Replacements and an Unconventional Phenyl Ring Bioisostere.	J Med Chem 63: 8534-8553 (2020)	F. Hoffmann-La Roche AG	2D 3D TSV
32702236	120	The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.	J Med Chem 63: 9093-9126 (2020)	GlaxoSmithKline	2D 3D TSV
32697083	44	Design, Synthesis, and Evaluation of New Quinazolinone Derivatives that Inhibit Bloom Syndrome Protein (BLM) Helicase, Trigger DNA Damage at the Telomere Region, and Synergize with PARP Inhibitors.	J Med Chem 63: 9752-9772 (2020)	Sun Yat-sen University	2D 3D TSV
32696644	4	Discovery and Characterization of Pure RhlR Antagonists against	J Med Chem 63: 8388-8407 (2020)	Korea University	2D 3D TSV
32690263	29	Design and biological evaluation of novel HIV-1 protease inhibitors with isopropanol as P1' ligand to enhance binding with S1' subsite.	Bioorg Med Chem 28: (2020)	Chinese Academy of Medical Science and Peking Union Medical College	2D 3D TSV
32690258	5	Discovery of [1,2,4]triazolo[4,3-a]pyridines as potent Smoothened inhibitors targeting the Hedgehog pathway with improved antitumor activity in vivo.	Bioorg Med Chem 28: (2020)	Southern Medical University	2D 3D TSV
32687365	35	Design and Structural Optimization of Dual FXR/PPAR? Activators.	J Med Chem 63: 8369-8379 (2020)	Goethe University Frankfurt	2D 3D TSV
32686936	8	Photoswitchable Antagonists for a Precise Spatiotemporal Control of ?	J Med Chem 63: 8458-8470 (2020)	Institute for Advanced Chemistry of Catalonia (IQAC-CSIC)	2D 3D TSV
32676158	18	Bioreducible Phosphonoamidate Pro-drug Inhibitor of Enolase: Proof of Concept Study.	ACS Med Chem Lett 11: 1484-1489 (2020)	University of Texas MD Anderson Cancer Center	2D 3D TSV
32676157	102	Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.	ACS Med Chem Lett 11: 1476-1483 (2020)	Merck & Co.	2D 3D TSV
32676156	8	Antiglioma Activity of Aryl and Amido-Aryl Acetamidine Derivatives Targeting iNOS: Synthesis and Biological Evaluation.	ACS Med Chem Lett 11: 1470-1475 (2020)	University "G. d'Annunzio" of Chieti-Pescara	2D 3D TSV
32676155	54	Discovery of 3-Quinazolin-4(3	ACS Med Chem Lett 11: 1463-1469 (2020)	Luoxin Pharmaceutical (Shanghai) Co., Ltd.	2D 3D TSV
32676150	6	Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor.	ACS Med Chem Lett 11: 1429-1434 (2020)	National Center for Scientific Research Demokritos	2D 3D TSV
32676149	7	Designing Dihydrofolate Reductase Inhibitors as X-ray Radiosensitizers to Reverse Radioresistance of Cervical Cancer.	ACS Med Chem Lett 11: 1421-1428 (2020)	Jinan University	2D 3D TSV
32676148	13	Pyrazolo[4,3-	ACS Med Chem Lett 11: 1416-1420 (2020)	Mitsubishi Tanabe Pharma Corporation	2D 3D TSV
32676146	61	Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.	ACS Med Chem Lett 11: 1402-1409 (2020)	Biocon Bristol Myers Squibb Research Center	2D 3D TSV
32676144	34	Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase ?.	ACS Med Chem Lett 11: 1386-1391 (2020)	GSK Medicines Research Centre	2D 3D TSV
32673492	57	Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.	J Med Chem 63: 8325-8337 (2020)	Vanderbilt University School of Medicine	2D 3D TSV
32672965	44	Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.	J Med Chem 63: 8296-8313 (2020)	University of Massachusetts Medical School	2D 3D TSV
32672458	164	Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.	J Med Chem 63: 8634-8648 (2020)	University of Toronto Mississauga	2D 3D TSV
32667799	88	Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction as Potential Anticancer Agents.	J Med Chem 63: 8338-8358 (2020)	Southern Medical University	2D 3D TSV
32667798	66	Novel Piperidinyl-Azetidines as Potent and Selective CCR4 Antagonists Elicit Antitumor Response as a Single Agent and in Combination with Checkpoint Inhibitors.	J Med Chem 63: 8584-8607 (2020)	RAPT Therapeutics	2D 3D TSV
32667202	5	Discovery of an Orally Active Small-Molecule Tumor Necrosis Factor-? Inhibitor.	J Med Chem 63: 8146-8156 (2020)	Huazhong University of Science and Technology	2D 3D TSV
32663005	1	Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent	J Med Chem 63: 9523-9539 (2020)	University of Dundee	2D 3D TSV
32658475	19	The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.	J Med Chem 63: 8314-8324 (2020)	University of Tennessee	2D 3D TSV
32657579	8	Global PROTAC Toolbox for Degrading BCR-ABL Overcomes Drug-Resistant Mutants and Adverse Effects.	J Med Chem 63: 8567-8583 (2020)	Tsinghua University	2D 3D TSV
32639734	82	Tideglusib and Its Analogues As Inhibitors of	J Med Chem 63: 8442-8457 (2020)	Guizhou University	2D 3D TSV
32634310	8	Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.	J Med Chem 63: 7773-7816 (2020)	Novartis Institutes for BioMedical Research	2D 3D TSV
32631571	19	Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors.	Bioorg Med Chem 28: (2020)	University Hospital T£bingen	2D 3D TSV
32631570	17	Design, synthesis and biological evaluation of novel 6-phenyl-1,3a,4,10b-tetrahydro-2H-benzo[c]thiazolo[4,5-e]azepin-2-one derivatives as potential BRD4 inhibitors.	Bioorg Med Chem 28: (2020)	China Pharmaceutical University	2D 3D TSV
32631569	5	Tetrazoles as anticancer agents: A review on synthetic strategies, mechanism of action and SAR studies.	Bioorg Med Chem 28: (2020)	Central University of Punjab	2D 3D TSV
32631567	13	Green asymmetric synthesis of epoxypeptidomimetics and evaluation as human cathepsin K inhibitors.	Bioorg Med Chem 28: (2020)	Federal University of S£o Carlos	2D 3D TSV
32631566	7	Amide derivatives of Gallic acid: Design, synthesis and evaluation of inhibitory activities against in vitro ?-synuclein aggregation.	Bioorg Med Chem 28: (2020)	Zhengzhou University	2D 3D TSV
32631562	2	Phenyltriazole-functionalized sulfamate inhibitors targeting tyrosyl- or isoleucyl-tRNA synthetase.	Bioorg Med Chem 28: (2020)	KU Leuven	2D 3D TSV
32631561	110	Structural manipulation of aporphines via C10 nitrogenation leads to the identification of new 5-HT	Bioorg Med Chem 28: (2020)	City University of New York	2D 3D TSV
32631554	15	Synthesis and biological evaluation of thioadatanserin and its dialkylated products as partial 5-HTR	Bioorg Med Chem Lett 30: (2020)	Dominican College	2D 3D TSV
32631548	15	A chalcone derivative binds a putative allosteric site of YopH: Inhibition of a virulence factor of Yersinia.	Bioorg Med Chem Lett 30: (2020)	Universidade Federal de Santa Catarina	2D 3D TSV
32631543	1	SAR of non-hydrolysable analogs of pyridoxal 5'-phosphate against low molecular weight protein tyrosine phosphatase isoforms.	Bioorg Med Chem Lett 30: (2020)	Saint John's University	2D 3D TSV
32631540	29	Design, synthesis and biological activity evaluation of novel 4-((1-cyclopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl) oxy) pyridine-2-yl) amino derivatives as potent transforming growth factor-? (TGF-?) type I receptor inhibitors.	Bioorg Med Chem Lett 30: (2020)	China Pharmaceutical University	2D 3D TSV
32631534	3	Design, synthesis and biological evaluation of novel pteridinone derivatives possessing a hydrazone moiety as potent PLK1 inhibitors.	Bioorg Med Chem Lett 30: (2020)	Shenyang Pharmaceutical University	2D 3D TSV
32631533	2	Design, synthesis and biological evaluation of 2-methyl-(1,1'-biphenyl)-pyrimidine conjugates.	Bioorg Med Chem Lett 30: (2020)	Zhejiang University	2D 3D TSV
32631532	35	Design, synthesis and biological evaluation of potent EGFR kinase inhibitors against 19D/T790M/C797S mutation.	Bioorg Med Chem Lett 30: (2020)	East China University of Science & Technology	2D 3D TSV
32631525	36	Synthesis and dopamine receptor pharmacological evaluations on ring C ortho halogenated 1-phenylbenzazepines.	Bioorg Med Chem Lett 30: (2020)	City University of New York	2D 3D TSV
32631520	26	Discovery of phenanthridine analogues as novel chemical probes disrupting the binding of DNA to ?FosB homodimers and ?FosB/JunD heterodimers.	Bioorg Med Chem Lett 30: (2020)	University of Texas Medical Branch	2D 3D TSV
32631516	11	Novel anticancer drug curaxin CBL0137 impairs DNA methylation by eukaryotic DNA methyltransferase Dnmt3a.	Bioorg Med Chem Lett 30: (2020)	M. V. Lomonosov Moscow State University	2D 3D TSV
32631515	6	Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.	Bioorg Med Chem Lett 30: (2020)	Emory University	2D 3D TSV
32631510	44	Potent dual EGFR/Her4 tyrosine kinase inhibitors containing novel (1,2-dithiolan-4-yl)acetamides.	Bioorg Med Chem Lett 30: (2020)	Sabila Biosciences LLC	2D 3D TSV
32631506	63	C2-substituted quinazolinone derivatives exhibit A	Bioorg Med Chem Lett 30: (2020)	North-West University	2D 3D TSV
32631504	29	Discovery of 5-(4-methylpiperazin-1-yl)-2-nitroaniline derivatives as a new class of SIRT6 inhibitors.	Bioorg Med Chem Lett 30: (2020)	Sichuan University	2D 3D TSV
32616182	70	N	Bioorg Med Chem 28: (2020)	Hiroshima International University	2D 3D TSV
32614182	299	Oligopeptides as Neuropeptide Y Y	J Med Chem 63: 8198-8215 (2020)	University of Regensburg	2D 3D TSV
32608236	5	Amino Acids Bearing Aromatic or Heteroaromatic Substituents as a New Class of Ligands for the Lysosomal Sialic Acid Transporter Sialin.	J Med Chem 63: 8231-8249 (2020)	Universit£ de Paris	2D 3D TSV
32605372	92	A New Class of Dengue and West Nile Virus Protease Inhibitors with Submicromolar Activity in Reporter Gene DENV-2 Protease and Viral Replication Assays.	J Med Chem 63: 8179-8197 (2020)	Heidelberg University	2D 3D TSV
32605369	32	Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.	J Med Chem 63: 8419-8431 (2020)	Purdue University	2D 3D TSV
32603594	14	Discovery of Novel PDE? Degraders for the Treatment of KRAS Mutant Colorectal Cancer.	J Med Chem 63: 7892-7905 (2020)	Second Military Medical University	2D 3D TSV
32603117	32	Discovery of Novel Selective and Orally Bioavailable Phosphodiesterase-1 Inhibitors for the Efficient Treatment of Idiopathic Pulmonary Fibrosis.	J Med Chem 63: 7867-7879 (2020)	Sun Yat-sen University	2D 3D TSV
32602722	8	A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists.	J Med Chem 63: 8250-8264 (2020)	Universit£ Paris-Sud	2D 3D TSV
32597184	8	Development of Conformationally Constrained ?-RgIA Analogues as Stable Peptide Antagonists of Human ?9?10 Nicotinic Acetylcholine Receptors.	J Med Chem 63: 8380-8387 (2020)	University of Utah	2D 3D TSV
32589844	3	Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.	J Med Chem 63: 7766-7772 (2020)	Universit£t zu K£ln	2D 3D TSV
32585100	5	Characterization of Inhibition Reveals Distinctive Properties for Human and	J Med Chem 63: 7545-7558 (2020)	Georg-August-University G£ttingen	2D 3D TSV
32584034	38	Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.	J Med Chem 63: 7840-7856 (2020)	X-Chem, Inc.	2D 3D TSV
32580550	35	EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.	J Med Chem 63: 7252-7267 (2020)	University of Michigan	2D 3D TSV
32575985	38	Novel Thienopyrimidine Inhibitors of	J Med Chem 63: 7740-7765 (2020)	Imperial College London	2D 3D TSV
32573250	63	Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A	J Med Chem 63: 7721-7739 (2020)	Uppsala University	2D 3D TSV
32571015	2	Dual Targeting of Norepinephrine Transporter (NET) Function and Thyrointegrin ?v?3 Receptors in the Treatment of Neuroblastoma.	J Med Chem 63: 7653-7662 (2020)	Albany College of Pharmacy and Health Sciences	2D 3D TSV
32567857	1	Discovery of 4-Phenylpiperidine-2-Carboxamide Analogues as Serotonin 5-HT	J Med Chem 63: 7529-7544 (2020)	University of Texas Medical Branch	2D 3D TSV
32558564	16	Structure-Based Drug Discovery of	J Med Chem 63: 7906-7920 (2020)	Sosei Heptares	2D 3D TSV
32551649	43	Synthesis and Anticancer Activity of Novel Actinonin Derivatives as HsPDF Inhibitors.	J Med Chem 63: 6959-6978 (2020)	Sun Yat-sen University	2D 3D TSV
32551645	51	2-Arylbenzo[	J Med Chem 63: 7880-7891 (2020)	University of Oxford	2D 3D TSV
32551607	52	Discovery of 4,6- and 5,7-Disubstituted Isoquinoline Derivatives as a Novel Class of Protein Kinase C ? Inhibitors with Fragment-Merging Strategy.	J Med Chem 63: 7143-7162 (2020)	Asahi Kasei Pharma Corporation	2D 3D TSV
32551603	185	Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.	J Med Chem 63: 8088-8113 (2020)	Novartis Institutes for BioMedical Research	2D 3D TSV
32551022	23	Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.	ACS Med Chem Lett 11: 1342-1347 (2020)	Genentech	2D 3D TSV
32551021	26	ONO-8430506: A Novel Autotaxin Inhibitor That Enhances the Antitumor Effect of Paclitaxel in a Breast Cancer Model.	ACS Med Chem Lett 11: 1335-1341 (2020)	Ono Pharmaceutical Co., Ltd.	2D 3D TSV
32551020	15	Discovery of Diphenylacetamides as CXCR7 Inhibitors with Novel ?-Arrestin Antagonist Activity.	ACS Med Chem Lett 11: 1330-1334 (2020)	Pfizer Inc.	2D 3D TSV
32551019	31	Discovery of CPI-1612: A Potent, Selective, and Orally Bioavailable EP300/CBP Histone Acetyltransferase Inhibitor.	ACS Med Chem Lett 11: 1324-1329 (2020)	Constellation Pharmaceuticals	2D 3D TSV
32551018	24	Discovery of Novel Nonpeptidic PAR2 Ligands.	ACS Med Chem Lett 11: 1316-1323 (2020)	Friedrich-Alexander University Erlangen-N£rnberg (FAU)	2D 3D TSV
32551016	33	Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.	ACS Med Chem Lett 11: 1305-1309 (2020)	H3 Biomedicine Inc.	2D 3D TSV
32551012	18	P2Y	ACS Med Chem Lett 11: 1281-1286 (2020)	Saint Louis University School of Medicine	2D 3D TSV
32551010	4	Rationally Designed Covalent BCL6 Inhibitor That Targets a Tyrosine Residue in the Homodimer Interface.	ACS Med Chem Lett 11: 1269-1273 (2020)	Dana-Farber Cancer Institute	2D 3D TSV
32551009	43	Discovery of RO7185876, a Highly Potent ?-Secretase Modulator (GSM) as a Potential Treatment for Alzheimer's Disease.	ACS Med Chem Lett 11: 1257-1268 (2020)	F. Hoffmann-La Roche Ltd.	2D 3D TSV
32551008	4	Development of Selective Steroid Inhibitors for the Glucose-6-phosphate Dehydrogenase from	ACS Med Chem Lett 11: 1250-1256 (2020)	Brazilian Biosciences National Laboratory	2D 3D TSV
32551007	19	Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase.	ACS Med Chem Lett 11: 1244-1249 (2020)	Goethe-University	2D 3D TSV
32551006	134	Discovery of an Atropisomeric PI3K? Selective Inhibitor through Optimization of the Hinge Binding Motif.	ACS Med Chem Lett 11: 1236-1243 (2020)	Gilead Sciences, Inc.	2D 3D TSV
32551005	72	Benzoxazepine-Derived Selective, Orally Bioavailable Inhibitor of Human Acidic Mammalian Chitinase.	ACS Med Chem Lett 11: 1228-1235 (2020)	OncoArendi Therapeutics S.A.	2D 3D TSV
32551004	32	Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR?t Inverse Agonist.	ACS Med Chem Lett 11: 1221-1227 (2020)	Bristol Myers Squibb Company	2D 3D TSV
32551003	53	Design and Synthesis of Styrenylcyclopropylamine LSD1 Inhibitors.	ACS Med Chem Lett 11: 1213-1220 (2020)	Constellation Pharmaceuticals	2D 3D TSV
32551002	49	Design, Synthesis, and Pharmacological Evaluation of Second Generation EZH2 Inhibitors with Long Residence Time.	ACS Med Chem Lett 11: 1205-1212 (2020)	Constellation Pharmaceuticals	2D 3D TSV
32551001	25	Novel HIV-1 Protease Inhibitors with Morpholine as the P2 Ligand to Enhance Activity against DRV-Resistant Variants.	ACS Med Chem Lett 11: 1196-1204 (2020)	Chinese Academy of Medical Science and Peking Union Medical College	2D 3D TSV
32550998	27	Characterization of Specific	ACS Med Chem Lett 11: 1175-1184 (2020)	Pfizer Inc.	2D 3D TSV
32550997	3	Scaffold Repurposing of in-House Chemical Library toward the Identification of New Casein Kinase 1 ? Inhibitors.	ACS Med Chem Lett 11: 1168-1174 (2020)	University of Padova	2D 3D TSV
32550994	20	Discovery of a Potent Dual Inhibitor of Wild-Type and Mutant Respiratory Syncytial Virus Fusion Proteins.	ACS Med Chem Lett 11: 1145-1151 (2020)	Taisho Pharmaceutical Co., Ltd.	2D 3D TSV
32550992	14	Identification of Inhibitors of Thrombospondin 1 Activation of TGF-?.	ACS Med Chem Lett 11: 1130-1136 (2020)	Southern Research Institute	2D 3D TSV
32550989	4	Design and Synthesis of Tetrazole- and Pyridine-Containing Itraconazole Analogs as Potent Angiogenesis Inhibitors.	ACS Med Chem Lett 11: 1111-1117 (2020)	Johns Hopkins School of Medicine	2D 3D TSV
32550984	12	Ligand Design for Cereblon Based Immunomodulatory Therapy.	ACS Med Chem Lett 11: 1088-1089 (2020)	Usona Institute	2D 3D TSV
32550982	28	Cancer Immunotherapy through the Inhibition of Diacylglycerol Kinases Alpha and Zeta.	ACS Med Chem Lett 11: 1083-1085 (2020)	Therachem Research Medilab, LLC.	2D 3D TSV
32550981	6	Potential Cancer Treatment by Agonists of the Stimulator of Interferon Genes.	ACS Med Chem Lett 11: 1081-1082 (2020)	Therachem Research Medilab, LLC	2D 3D TSV
32550980	12	Inhibitors of Hypoxia-Inducible Factors as Treatment for Cancer.	ACS Med Chem Lett 11: 1079-1080 (2020)	Therachem Research Medilab, LLC.	2D 3D TSV
32546302	29	Discovery of novel potent GPR40 agonists containing imidazo[1,2-a]pyridine core as antidiabetic agents.	Bioorg Med Chem 28: (2020)	China Pharmaceutical University	2D 3D TSV
32543856	3	Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1?-IL1R and p38?-TAB1 Complexes.	J Med Chem 63: 7559-7568 (2020)	King's College London	2D 3D TSV
32539376	8	Targeting Peroxisome Proliferator-Activated Receptor Delta (PPAR?): A Medicinal Chemistry Perspective.	J Med Chem 63: 10109-10134 (2020)	Daegu-Gyeongbuk Medical Innovation Foundation	2D 3D TSV
32538088	62	Discovery of Dihydropyrrolo[1,2-	J Med Chem 63: 7569-7600 (2020)	Emory University	2D 3D TSV
32530624	114	Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.	J Med Chem 63: 6876-6897 (2020)	TBA	2D 3D TSV
32530623	102	Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6	J Med Chem 63: 7817-7826 (2020)	Harvard Medical School	2D 3D TSV
32530286	228	Synthesis and Structure-Activity Relationships of 5'-Aryl-14-alkoxypyridomorphinans: Identification of a ? Opioid Receptor Agonist/? Opioid Receptor Antagonist Ligand with Systemic Antinociceptive Activity and Diminished Opioid Side Effects.	J Med Chem 63: 7663-7694 (2020)	University of Alabama at Birmingham	2D 3D TSV
32529824	9	Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL	J Med Chem 63: 6863-6875 (2020)	Monash University (Parkville Campus)	2D 3D TSV
32527554	11	A cell-based fluorescent assay for FAP inhibitor discovery.	Bioorg Med Chem Lett 30: (2020)	Peking University First Hospital	2D 3D TSV
32527553	6	Design, synthesis and evaluation of pyrazolopyrimidinone derivatives as novel PDE9A inhibitors for treatment of Alzheimer's disease.	Bioorg Med Chem Lett 30: (2020)	Sun Yat-sen University	2D 3D TSV
32527548	7	Synthesis and evaluation of novel sulfonamide analogues of 6/7-aminoflavones as anticancer agents via topoisomerase II inhibition.	Bioorg Med Chem Lett 30: (2020)	Prof John Barnabas Post Graduate School of Biological Studies	2D 3D TSV
32527545	27	The discovery of azetidine-piperazine di-amides as potent, selective and reversible monoacylglycerol lipase (MAGL) inhibitors.	Bioorg Med Chem Lett 30: (2020)	Janssen Research & Development, L.L.C.	2D 3D TSV
32527540	51	Discovery of triazolo [1,5-a] pyridine derivatives as novel JAK1/2 inhibitors.	Bioorg Med Chem Lett 11: 1599-603 (2001)	Shenyang Pharmaceutical University	2D 3D TSV
32527538	30	Azetidine-based selective glycine transporter-1 (GlyT1) inhibitors with memory enhancing properties.	Bioorg Med Chem Lett 30: (2020)	Dart Neuroscience	2D 3D TSV
32527461	1	Enzymatic biosynthesis and biological evaluation of novel 17-AAG glucoside as potential anti-cancer agents.	Bioorg Med Chem Lett 30: (2020)	Bengbu Medical College	2D 3D TSV
32527459	67	Discovery of hydroxy pyrimidine Factor IXa inhibitors.	Bioorg Med Chem Lett 30: (2020)	Merck & Co.	2D 3D TSV
32527453	16	Design, synthesis, and pharmacological evaluation of 2-(4-sulfonylphenyl)-2-[(E)-pyrrolidin-1-ylimino]-N-thiazoleacetamides as glucokinase activators.	Bioorg Med Chem Lett 30: (2020)	Chiba University	2D 3D TSV
32525315	1	Antiproliferative Flavanoid Dimers Isolated from Brazilian Red Propolis.	J Nat Prod 83: 1784-1793 (2020)	Universidade de S£o Paulo	2D 3D TSV
32520560	4	Chemoreactive-Inspired Discovery of Influenza A Virus Dual Inhibitor to Block Hemagglutinin-Mediated Adsorption and Membrane Fusion.	J Med Chem 63: 6924-6940 (2020)	Ocean University of China	2D 3D TSV
32519851	164	Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.	J Med Chem 63: 7422-7444 (2020)	University of Firenze	2D 3D TSV
32515951	2	New Broad-Spectrum Antibiotics Containing a Pyrrolobenzodiazepine Ring with Activity against Multidrug-Resistant Gram-Negative Bacteria.	J Med Chem 63: 6941-6958 (2020)	King's College London	2D 3D TSV
32515588	53	Design, Synthesis, and Physicochemical and Pharmacological Profiling of 7-Hydroxy-5-oxopyrazolo[4,3-	J Med Chem 63: 7369-7391 (2020)	University of Siena	2D 3D TSV
32511917	79	Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.	J Med Chem 63: 6834-6846 (2020)	University of Oslo	2D 3D TSV
32511913	141	Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.	J Med Chem 63: 7163-7185 (2020)	Japan Tobacco Inc.	2D 3D TSV
32506913	6	Discovery of 6-Phenylhexanamide Derivatives as Potent Stereoselective Mitofusin Activators for the Treatment of Mitochondrial Diseases.	J Med Chem 63: 7033-7051 (2020)	The First Affiliated Hospital of Xi'an Jiao Tong University	2D 3D TSV
32503694	27	Rational design, synthesis and biological evaluation of novel multitargeting anti-AD iron chelators with potent MAO-B inhibitory and antioxidant activity.	Bioorg Med Chem 28: (2020)	Zhejiang University	2D 3D TSV
32503692	2	Synthesis of novel 3,5,6-trisubstituted 2-pyridone derivatives and evaluation for their anti-inflammatory activity.	Bioorg Med Chem 28: (2020)	Universidade Estadual de Maring£ (UEM)	2D 3D TSV
32503688	35	Discovery of a novel indole pharmacophore for the irreversible inhibition of myeloperoxidase (MPO).	Bioorg Med Chem 28: (2020)	Novartis Institutes for BioMedical Research	2D 3D TSV
32503687	22	Design, synthesis and biological evaluation of novel pyrrolo[2,3-d]pyrimidine as tumor-targeting agents with selectivity for tumor uptake by high affinity folate receptors over the reduced folate carrier.	Bioorg Med Chem 28: (2020)	Duquesne University	2D 3D TSV
32502343	79	Discovery of MFH290: A Potent and Highly Selective Covalent Inhibitor for Cyclin-Dependent Kinase 12/13.	J Med Chem 63: 6708-6726 (2020)	Harvard Medical School	2D 3D TSV
32502336	79	Damage Incorporated: Discovery of the Potent, Highly Selective, Orally Available ATR Inhibitor BAY 1895344 with Favorable Pharmacokinetic Properties and Promising Efficacy in Monotherapy and in Combination Treatments in Preclinical Tumor Models.	J Med Chem 63: 7293-7325 (2020)	Bayer AG	2D 3D TSV
32496059	1	Structural Revision of Garcinielliptin Oxide and Garcinielliptone E.	J Nat Prod 83: 2041-2044 (2020)	University of Kentucky	2D 3D TSV
32496056	61	Bifunctional Naphtho[2,3-	J Med Chem 63: 7633-7652 (2020)	Sichuan University	2D 3D TSV
32491863	11	Inhibiting Matrix Metalloproteinase-2 Activation by Perturbing Protein-Protein Interactions Using a Cyclic Peptide.	J Med Chem 63: 6979-6990 (2020)	University of California	2D 3D TSV
32490678	14	Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections.	J Med Chem 63: 7211-7225 (2020)	University of Illinois at Chicago	2D 3D TSV
32484346	2	Design and Synthesis of a Trifunctional Molecular System "Programmed" to Block Epidermal Growth Factor Receptor Tyrosine Kinase, Induce High Levels of DNA Damage, and Inhibit the DNA Repair Enzyme (Poly(ADP-ribose) Polymerase) in Prostate Cancer Cells.	J Med Chem 63: 5752-5762 (2020)	The Research Institute of the McGill University Health Center/Glen Hospital	2D 3D TSV
32482533	52	Discovery of ORN0829, a potent dual orexin 1/2 receptor antagonist for the treatment of insomnia.	Bioorg Med Chem 28: (2020)	Taisho Pharmaceutical Co., Ltd.	2D 3D TSV
32479084	57	Discovery of Novel Indole-Based Allosteric Highly Potent ATX Inhibitors with Great	J Med Chem 63: 7326-7346 (2020)	Shenyang Pharmaceutical University	2D 3D TSV
32479083	42	Identification of	J Med Chem 63: 6748-6773 (2020)	China Pharmaceutical University	2D 3D TSV
32470302	25	Design of Development Candidate eFT226, a First in Class Inhibitor of Eukaryotic Initiation Factor 4A RNA Helicase.	J Med Chem 63: 5879-5955 (2020)	Inception Therapeutics	2D 3D TSV
32470298	42	-Aryl-3-mercaptosuccinimides as Antivirulence Agents Targeting	J Med Chem 63: 8359-8368 (2020)	Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)	2D 3D TSV
32464061	6	Precursor-Directed Biosynthesis and Fluorescence Labeling of Clickable Microcystins.	J Nat Prod 83: 1960-1970 (2020)	University of Halle-Wittenberg	2D 3D TSV
32463228	151	Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors.	J Med Chem 63: 7392-7409 (2020)	Universit£ degli Studi di Firenze	2D 3D TSV
32462873	216	Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.	J Med Chem 63: 7008-7032 (2020)	GVK Biosciences Private Limited	2D 3D TSV
32462866	17	Bioisosteric Replacement of Arylamide-Linked Spine Residues with	J Med Chem 63: 7347-7354 (2020)	Federal University of Rio de Janeiro (UFRJ)	2D 3D TSV
32462865	26	Late-Stage Lead Diversification Coupled with Quantitative Nuclear Magnetic Resonance Spectroscopy to Identify New Structure-Activity Relationship Vectors at Nanomole-Scale Synthesis: Application to Loratadine, a Human Histamine H	J Med Chem 63: 7268-7292 (2020)	Pfizer Inc.	2D 3D TSV
32456431	24	Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.	J Med Chem 63: 7226-7242 (2020)	Bristol Myers Squibb Company	2D 3D TSV
32453591	70	Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.	J Med Chem 63: 7186-7210 (2020)	University of Illinois at Chicago	2D 3D TSV
32452679	53	Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.	J Med Chem 63: 7108-7126 (2020)	Haisco Pharmaceutical Group Company Ltd.	2D 3D TSV
32437146	3	Discovery of SHP2-D26 as a First, Potent, and Effective PROTAC Degrader of SHP2 Protein.	J Med Chem 63: 7510-7528 (2020)	TBA	2D 3D TSV
32435425	2	Factor H-Inspired Design of Peptide Biomarkers of the Complement C3d Protein.	ACS Med Chem Lett 11: 1054-1059 (2020)	University of California Riverside	2D 3D TSV
32435424	12	HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-Protein Interactions by NMR.	ACS Med Chem Lett 11: 1047-1053 (2020)	University of Naples "Federico II"	2D 3D TSV
32435423	4	Discovery of Small-Molecule Stabilizers of 14-3-3 Protein-Protein Interactions via Dynamic Combinatorial Chemistry.	ACS Med Chem Lett 11: 1041-1046 (2020)	University of Groningen	2D 3D TSV
32435421	37	Novel Dithiolane-Based Ligands Combining Sigma and NMDA Receptor Interactions as Potential Neuroprotective Agents.	ACS Med Chem Lett 11: 1028-1034 (2020)	University of Modena and Reggio Emilia	2D 3D TSV
32435420	36	Benzofuran-Based Carboxylic Acids as Carbonic Anhydrase Inhibitors and Antiproliferative Agents against Breast Cancer.	ACS Med Chem Lett 11: 1022-1027 (2020)	Kafrelsheikh University	2D 3D TSV
32435418	12	Phenolic Compounds from	ACS Med Chem Lett 11: 1006-1013 (2020)	Centre of Experimental Medicine SAS	2D 3D TSV
32435417	137	Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms.	ACS Med Chem Lett 11: 1000-1005 (2020)	Universit£ degli Studi di Messina	2D 3D TSV
32435414	24	Design of First-in-Class Dual EZH2/HDAC Inhibitor: Biochemical Activity and Biological Evaluation in Cancer Cells.	ACS Med Chem Lett 11: 977-983 (2020)	Sapienza University of Rome	2D 3D TSV
32435413	19	Structure-Guided Identification of DNMT3B Inhibitors.	ACS Med Chem Lett 11: 971-976 (2020)	Yale University	2D 3D TSV
32435412	16	Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2-	ACS Med Chem Lett 11: 963-970 (2020)	University of Pisa	2D 3D TSV
32435411	23	Exploring the Implication of DDX3X in DENV Infection: Discovery of the First-in-Class DDX3X Fluorescent Inhibitor.	ACS Med Chem Lett 11: 956-962 (2020)	Universit£ degli Studi di Siena	2D 3D TSV
32435401	39	Sigma Receptor Ligands Carrying a Nitric Oxide Donor Nitrate Moiety: Synthesis, In Silico, and Biological Evaluation.	ACS Med Chem Lett 11: 889-894 (2020)	University of Catania	2D 3D TSV
32435398	15	Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.	ACS Med Chem Lett 11: 869-876 (2020)	University of Bari Aldo Moro	2D 3D TSV
32435397	31	From PARP1 to TNKS2 Inhibition: A Structure-Based Approach.	ACS Med Chem Lett 11: 862-868 (2020)	University of Naples	2D 3D TSV
32435395	56	New Dihydrothiazole Benzensulfonamides: Looking for Selectivity toward Carbonic Anhydrase Isoforms I, II, IX, and XII.	ACS Med Chem Lett 11: 852-856 (2020)	University of Cagliari	2D 3D TSV
32435391	42	Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue and	ACS Med Chem Lett 11: 825-831 (2020)	Angelini Pharma S.p.A.	2D 3D TSV
32435390	12	GPBAR1 Activation by C6-Substituted Hyodeoxycholane Analogues Protect against Colitis.	ACS Med Chem Lett 11: 818-824 (2020)	University of Naples "Federico II"	2D 3D TSV
32435389	14	Peptides Mimicking the ?7/?8 Loop of HIV-1 Reverse Transcriptase p51 as "Hotspot-Targeted" Dimerization Inhibitors.	ACS Med Chem Lett 11: 811-817 (2020)	Instituto de Qu£mica M£dica (IQM, CSIC)	2D 3D TSV
32435388	2	Drug Synergism: Studies of Combination of RK-52 and Curcumin against Rhodesain of	ACS Med Chem Lett 11: 806-810 (2020)	University of Messina	2D 3D TSV
32435387	43	Pyrrolyl Pyrazoles as Non-Diketo Acid Inhibitors of the HIV-1 Ribonuclease H Function of Reverse Transcriptase.	ACS Med Chem Lett 11: 798-805 (2020)	"Sapienza" Universit£ di Roma	2D 3D TSV
32435385	4	Targeting mPGES-1 by a Combinatorial Approach: Identification of the Aminobenzothiazole Scaffold to Suppress PGE	ACS Med Chem Lett 11: 783-789 (2020)	University of Salerno	2D 3D TSV
32435383	17	5,6-Dihydroxypyrimidine Scaffold to Target HIV-1 Nucleocapsid Protein.	ACS Med Chem Lett 11: 766-772 (2020)	IRBM S.p.A.	2D 3D TSV
32435381	33	Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models.	ACS Med Chem Lett 11: 754-759 (2020)	European Institute of Oncology IRCCS	2D 3D TSV
32435379	20	Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.	ACS Med Chem Lett 11: 740-746 (2020)	IRBM S.p.A.	2D 3D TSV
32435378	4	Targeting Orthosteric and Allosteric Pockets of Aromatase via Dual-Mode Novel Azole Inhibitors.	ACS Med Chem Lett 11: 732-739 (2020)	Alma Mater Studiorum-University of Bologna	2D 3D TSV
32435377	30	Glycomimetic Based Approach toward Selective Carbonic Anhydrase Inhibitors.	ACS Med Chem Lett 11: 727-731 (2020)	Universit£ di Firenze	2D 3D TSV
32435376	24	Developing Cyclic Opioid Analogues: Fluorescently Labeled Bioconjugates of Biphalin.	ACS Med Chem Lett 11: 720-726 (2020)	Universit£ di Chieti-Pescara "G. d'Annunzio"	2D 3D TSV
32435375	22	New Dual CK2/HDAC1 Inhibitors with Nanomolar Inhibitory Activity against Both Enzymes.	ACS Med Chem Lett 11: 713-719 (2020)	Universidad San Pablo-CEU	2D 3D TSV
32435374	9	Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor.	ACS Med Chem Lett 11: 706-712 (2020)	University of Illinois at Chicago	2D 3D TSV
32435370	45	Novel	ACS Med Chem Lett 11: 678-685 (2020)	University of Catania	2D 3D TSV
32435367	1	Development of Pyrazolo[3,4-	ACS Med Chem Lett 11: 657-663 (2020)	University of Genoa	2D 3D TSV
32435366	41	Synthesis, Cytotoxicity Evaluation, and Computational Insights of Novel 1,4-Diazepane-Based Sigma Ligands.	ACS Med Chem Lett 11: 651-656 (2020)	University of Trieste	2D 3D TSV
32435363	57	Discovery of New 1,1'-Biphenyl-4-sulfonamides as Selective Subnanomolar Human Carbonic Anhydrase II Inhibitors.	ACS Med Chem Lett 11: 633-637 (2020)	Sapienza University of Rome	2D 3D TSV
32435362	21	Sulfonimide and Amide Derivatives as Novel PPAR? Antagonists: Synthesis, Antiproliferative Activity, and Docking Studies.	ACS Med Chem Lett 11: 624-632 (2020)	"G. d'Annunzio" University of Chieti-Pescara	2D 3D TSV
32435361	1	Chimeric Peptidomimetics of SOCS 3 Able to Interact with JAK2 as Anti-inflammatory Compounds.	ACS Med Chem Lett 11: 615-623 (2020)	University of Naples "Federico II"	2D 3D TSV
32433887	62	Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity	J Med Chem 63: 6784-6801 (2020)	University of Nottingham	2D 3D TSV
32429662	39	Discovery of Aryl Formyl Piperidine Derivatives as Potent, Reversible, and Selective Monoacylglycerol Lipase Inhibitors.	J Med Chem 63: 5783-5796 (2020)	China Pharmaceutical University	2D 3D TSV
32428392	7	Characterization and Noncovalent Inhibition of the Deubiquitinase and deISGylase Activity of SARS-CoV-2 Papain-Like Protease.	ACS Infect Dis 6: 2099-2109 (2020)	University of Georgia	2D 3D TSV
32420743	4	Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.	J Med Chem 63: 5856-5864 (2020)	Boehringer Ingelheim Pharma GmbH & Co. KG	2D 3D TSV
32420741	134	UR-DEBa242: A Py-5-Labeled Fluorescent Multipurpose Probe for Investigations on the Histamine H	J Med Chem 63: 5297-5311 (2020)	University of Regensburg	2D 3D TSV
32420739	21	Optimizing Pyrazolopyrimidine Inhibitors of Calcium Dependent Protein Kinase 1 for Treatment of Acute and Chronic Toxoplasmosis.	J Med Chem 63: 6144-6163 (2020)	Washington University School of Medicine	2D 3D TSV
32420736	1	A ?-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli.	J Med Chem 63: 5990-6002 (2020)	Louis Stokes Cleveland Department of Veterans Affairs Medical Center	2D 3D TSV
32410449	88	Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains.	J Med Chem 63: 5816-5840 (2020)	GlaxoSmithKline R&D	2D 3D TSV
32407115	68	Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1	J Med Chem 63: 8046-8058 (2020)	Janssen Pharmaceutical Companies of Johnson & Johnson	2D 3D TSV
32392056	108	Discovery of DS-1971a, a Potent, Selective Na	J Med Chem 63: 10204-10220 (2020)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
32392053	8	-Alkyl Hydroxamates Display Potent and Selective Antileishmanial Activity.	J Med Chem 63: 5734-5751 (2020)	Universidad de Granada	2D 3D TSV
32391701	2	Structure-Activity Relationship Study Enables the Discovery of a Novel	J Med Chem 63: 5841-5855 (2020)	Xiamen University	2D 3D TSV
32390424	9	Discovery of the First Vitamin K Analogue as a Potential Treatment of Pharmacoresistant Seizures.	J Med Chem 63: 5865-5878 (2020)	Ocean University of China	2D 3D TSV
32386980	21	Design, synthesis and biological evaluation of N-hydroxy-aminobenzyloxyarylamide analogues as novel selective ? opioid receptor antagonists.	Bioorg Med Chem Lett 30: (2020)	China Pharmaceutical University	2D 3D TSV
32383881	93	Achiral Derivatives of Hydroxamate AR-42 Potently Inhibit Class I HDAC Enzymes and Cancer Cell Proliferation.	J Med Chem 63: 5956-5971 (2020)	The University of Queensland	2D 3D TSV
32381396	12	Synthesis, biochemical evaluation, and molecular modeling of organophosphate-coumarin hybrids as potent and selective butyrylcholinesterase inhibitors.	Bioorg Med Chem Lett 30: (2020)	California State University	2D 3D TSV
32379447	44	Validating the 1,2-Difluoro Motif As a Hybrid Bioisostere of CF	J Med Chem 63: 6225-6237 (2020)	Westf£lische Wilhelms-Universit£t M£nster	2D 3D TSV
32375478	24	Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.	J Med Chem 63: 6238-6247 (2020)	Central China Normal University	2D 3D TSV
32374602	190	Novel Potent Muscarinic Receptor Antagonists: Investigation on the Nature of Lipophilic Substituents in the 5- and/or 6-Positions of the 1,4-Dioxane Nucleus.	J Med Chem 63: 5763-5782 (2020)	Universit£ di Camerino	2D 3D TSV
32371117	20	Sulfonamide-based 4-anilinoquinoline derivatives as novel dual Aurora kinase (AURKA/B) inhibitors: Synthesis, biological evaluation and in silico insights.	Bioorg Med Chem 28: (2020)	Jouf University	2D 3D TSV
32371098	15	Synthesis and biological evaluation of quinoxaline derivatives as specific c-Met kinase inhibitors.	Bioorg Med Chem Lett 30: (2020)	Sungkyunkwan University	2D 3D TSV
32369358	143	Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.	J Med Chem 63: 4978-4996 (2020)	University of Toronto	2D 3D TSV
32368909	99	Discovery of Potent, Selective, and State-Dependent Na	J Med Chem 63: 6107-6133 (2020)	Lupin Ltd.	2D 3D TSV
32367723	22	Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor.	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.	Antimicrob Agents Chemother 64: (2020)	Institut Pasteur Korea	2D 3D TSV
32366098	1	Learning Molecular Representations for Medicinal Chemistry.	J Med Chem 63: 8705-8722 (2020)	University of California	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.	J Med Chem 63: 5274-5286 (2020)	Monash University (Parkville Campus)	2D 3D TSV
32364726	5	Structural Specificity of Flavonoids in the Inhibition of Human Fructose 1,6-Bisphosphatase.	J Nat Prod 83: 1541-1552 (2020)	University of Porto	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.	J Med Chem 63: 5185-5200 (2020)	University of Florence	2D 3D TSV
32362385	35	Exploring tryptamine conjugates as pronucleotides of phosphate-modified 7-methylguanine nucleotides targeting cap-dependent translation.	Bioorg Med Chem 28: (2020)	University of Warsaw	2D 3D TSV
32356658	32	l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR?.	J Med Chem 63: 6727-6740 (2020)	Goethe-University Frankfurt	2D 3D TSV
32354570	1	Synthesis of morpholine derivatives using the Castagnoli-Cushman reaction as BACE1 inhibitors: Unexpected binding activity of cyclic thioamides.	Bioorg Med Chem Lett 30: (2020)	University of Florence	2D 3D TSV
32353859	59	A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.	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.	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.	J Med Chem 63: 4867-4879 (2020)	Purdue University	2D 3D TSV
32347726	41	Licochalcone A Selectively Resensitizes ABCG2-Overexpressing Multidrug-Resistant Cancer Cells to Chemotherapeutic Drugs.	J Nat Prod 83: 1461-1472 (2020)	Taipei Chang Gung Memorial Hospital	2D 3D TSV
32347094	10	Discovery of Novel Fungal Lanosterol 14?-Demethylase (CYP51)/Histone Deacetylase Dual Inhibitors to Treat Azole-Resistant Candidiasis.	J Med Chem 63: 5341-5359 (2020)	Second Military Medical University	2D 3D TSV
32345459	13	Discovery of novel, potent, and orally bioavailable pyrido[2,3-d][1]benzazepin-6-one antagonists for parathyroid hormone receptor 1.	Bioorg Med Chem 28: (2020)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
32345458	21	Secondary metabolites from Isodon ternifolius (D. Don) Kudo and their anticancer activity as DNA topoisomerase IB and Tyrosyl-DNA phosphodiesterase 1 inhibitors.	Bioorg Med Chem 28: (2020)	Sun Yat-sen University	2D 3D TSV
32345019	134	Discovery and Structure Relationships of Salicylanilide Derivatives as Potent, Non-acidic P2X1 Receptor Antagonists.	J Med Chem 63: 6164-6178 (2020)	University of Bonn	2D 3D TSV
32342688	78	Optimization of Hydantoins as Potent Antimycobacterial Decaprenylphosphoryl-?-d-Ribose Oxidase (DprE1) Inhibitors.	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 D	J Med Chem 63: 5526-5567 (2020)	National Institute of Neurological Disorders and Stroke	2D 3D TSV
32340793	64	Synthetic bioactive olivetol-related amides: The influence of the phenolic group in cannabinoid receptor activity.	Bioorg Med Chem 28: (2020)	Universit£ degli Studi di Siena	2D 3D TSV
32340792	16	Design and synthesis of novel pyrrolo[2,3-b]pyridine derivatives targeting	Bioorg Med Chem 28: (2020)	National Research Centre (NRC ID: 60014618)	2D 3D TSV
32340773	110	Design and synthesis of novel proline based factor XIa selective inhibitors as leads for potential new anticoagulants.	Bioorg Med Chem Lett 30: (2020)	Merck & Co.	2D 3D TSV
32340447	9	Synthesis and Biochemical Evaluation of Noncyclic Nucleotide Exchange Proteins Directly Activated by cAMP 1 (EPAC1) Regulators.	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	J Med Chem 63: 4997-5010 (2020)	TBA	2D 3D TSV
32338514	154	Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.	J Med Chem 63: 8025-8042 (2020)	Bayer AG	2D 3D TSV
32337993	11	Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.	J Med Chem 63: 5488-5500 (2020)	University of Bath	2D 3D TSV
32336669	6	Cytotoxicity of 4-substituted quinoline derivatives: Anticancer and antileishmanial potential.	Bioorg Med Chem 28: (2020)	Universidade de Mogi das Cruzes (UMC)	2D 3D TSV
32336498	324	Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR?t.	Bioorg Med Chem Lett 30: (2020)	Phenex Pharmaceuticals AG	2D 3D TSV
32334914	5	The discovery of diazetidinyl diamides as potent and reversible inhibitors of monoacylglycerol lipase (MAGL).	Bioorg Med Chem Lett 30: (2020)	Janssen Research & Development, L.L.C.	2D 3D TSV
32334912	130	Discovery and optimization of new oxadiazole substituted thiazole ROR?t inverse agonists through a bioisosteric amide replacement approach.	Bioorg Med Chem Lett 30: (2020)	Phenex Pharmaceuticals AG	2D 3D TSV
32334911	22	Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR?t) agonists.	Bioorg Med Chem Lett 30: (2020)	Bristol Myers Squibb Company	2D 3D TSV
32331933	8	Monovalent protein-degraders - Insights and future perspectives.	Bioorg Med Chem Lett 30: (2020)	Cedilla Therapeutics	2D 3D TSV
32331932	180	Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.	Bioorg Med Chem Lett 30: (2020)	Merck & Co.	2D 3D TSV
32330040	58	Discovery and Development of S6821 and S7958 as Potent TAS2R8 Antagonists.	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.	J Med Chem 63: 5324-5340 (2020)	Yale University	2D 3D TSV
32329342	23	Discovery of Potent Inhibitors against P-Glycoprotein-Mediated Multidrug Resistance Aided by Late-Stage Functionalization of a 2-(4-(Pyridin-2-yl)phenoxy)pyridine Analogue.	J Med Chem 63: 5458-5476 (2020)	Chinese Academy of Medical Sciences & Peking Union Medical College	2D 3D TSV
32327351	16	Synthesis and structure-activity relationships of thieno[2,3-d]pyrimidines as atypical protein kinase C inhibitors to control retinal vascular permeability and cytokine-induced edema.	Bioorg Med Chem 28: (2020)	University of Michigan	2D 3D TSV
32327350	38	Synthesis and cytotoxic effects of 2-thio-3,4-dihydroquinazoline derivatives as novel T-type calcium channel blockers.	Bioorg Med Chem 28: (2020)	Kyung Hee University	2D 3D TSV
32327349	52	Benzoxepinones: A new isoform-selective class of tumor associated carbonic anhydrase inhibitors.	Bioorg Med Chem 28: (2020)	Latvian Institute of Organic Synthesis	2D 3D TSV
32324999	110	Discovery of	J Med Chem 63: 5585-5623 (2020)	AbbVie Inc.	2D 3D TSV
32324396	17	p62/SQSTM1, a Central but Unexploited Target: Advances in Its Physiological/Pathogenic Functions and Small Molecular Modulators.	J Med Chem 63: 10135-10157 (2020)	China Pharmaceutical University	2D 3D TSV
32321856	4	Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.	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.	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.	J Med Chem 63: 5212-5241 (2020)	University of Strathclyde	2D 3D TSV
32317209	8	Design, synthesis and antiproliferative activity evaluation of a series of pyrrolo[2,1-f][1,2,4]triazine derivatives.	Bioorg Med Chem Lett 30: (2020)	Central South University	2D 3D TSV
32315177	7	Synthesis and Structure-Activity Relationships of Arylsulfonamides as AIMP2-DX2 Inhibitors for the Development of a Novel Anticancer Therapy.	J Med Chem 63: 5139-5158 (2020)	Dongguk University-Seoul	2D 3D TSV
32315173	8	The Oxidation of Phytocannabinoids to Cannabinoquinoids.	J Nat Prod 83: 1711-1715 (2020)	Universit£ del Piemonte Orientale	2D 3D TSV
32314924	44	Discovery, Structure-Activity Relationship, and Biological Activity of Histone-Competitive Inhibitors of Histone Acetyltransferases P300/CBP.	J Med Chem 63: 4716-4731 (2020)	Avera Institute for Human Genetics	2D 3D TSV
32309949	50	Aromatic Esters of the Crinane Amaryllidaceae Alkaloid Ambelline as Selective Inhibitors of Butyrylcholinesterase.	J Nat Prod 83: 1359-1367 (2020)	University of Defence	2D 3D TSV
32307259	19	Optimization and biological evaluation of imidazopyridine derivatives as a novel scaffold for ?-secretase modulators with oral efficacy against cognitive deficits in Alzheimer's disease model mice.	Bioorg Med Chem 28: (2020)	Astellas Pharma Inc.	2D 3D TSV
32305182	48	Structural modifications of indolinones bearing a pyrrole moiety and discovery of a multi-kinase inhibitor with potent antitumor activity.	Bioorg Med Chem 28: (2020)	Shenyang Pharmaceutical University	2D 3D TSV
32305165	72	Discovery of novel heat shock protein (Hsp90) inhibitors based on luminespib with potent antitumor activity.	Bioorg Med Chem Lett 30: (2020)	Seoul National University	2D 3D TSV
32302140	121	Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.	J Med Chem 63: 5398-5420 (2020)	RAPT Therapeutics, Inc.	2D 3D TSV
32302139	11	Triazolo-Peptidomimetics: Novel Radiolabeled Minigastrin Analogs for Improved Tumor Targeting.	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.	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.	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.	J Med Chem 63: 4776-4789 (2020)	CSIR-Indian Institute of Chemical Biology	2D 3D TSV
32299731	56	Evaluation of nitrocatechol chalcone and pyrazoline derivatives as inhibitors of catechol-O-methyltransferase and monoamine oxidase.	Bioorg Med Chem Lett 30: (2020)	North-West University	2D 3D TSV
32299730	17	Discovery of ? opioid receptor full agonists lacking a basic nitrogen atom and their antidepressant-like effects.	Bioorg Med Chem Lett 30: (2020)	Kitasato University	2D 3D TSV
32299660	3	Induction of enantio-selective apoptosis in human leukemia HL-60 cells by (S)-erypoegin K, an isoflavone isolated from Erythrina poeppigiana.	Bioorg Med Chem 28: (2020)	Meijo University	2D 3D TSV
32298582	79	Novel Human Neutral Sphingomyelinase 2 Inhibitors as Potential Therapeutics for Alzheimer's Disease.	J Med Chem 63: 6028-6056 (2020)	Czech Academy of Sciences	2D 3D TSV
32298122	11	Naphthacemycins from a	J Nat Prod 83: 1394-1399 (2020)	Hebei Medical University	2D 3D TSV
32298120	52	Discovery and Structure-Activity Relationship Study of (	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.	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.	J Med Chem 63: 4790-4810 (2020)	Shandong University	2D 3D TSV
32297747	1	Structure-Activity Relationship of SPOP Inhibitors against Kidney Cancer.	J Med Chem 63: 4849-4866 (2020)	Chinese Academy of Sciences	2D 3D TSV
32297743	59	Discovery of (2	J Med Chem 63: 4517-4527 (2020)	AstraZeneca	2D 3D TSV
32297742	3	Mechanism of Action of an EPAC1-Selective Competitive Partial Agonist.	J Med Chem 63: 4762-4775 (2020)	University of Texas Medical Branch	2D 3D TSV
32293182	64	Structure-Based Bioisosterism Yields HIV-1 NNRTIs with Improved Drug-Resistance Profiles and Favorable Pharmacokinetic Properties.	J Med Chem 63: 4837-4848 (2020)	Shandong University	2D 3D TSV
32292567	40	Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.	ACS Med Chem Lett 11: 582-588 (2020)	Merck & Co., Inc.	2D 3D TSV
32292564	138	Efficacy and Tolerability of Pyrazolo[1,5-	ACS Med Chem Lett 11: 558-565 (2020)	The Genomics Institute of the Novartis Research Foundation	2D 3D TSV
32292563	12	Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).	ACS Med Chem Lett 11: 550-557 (2020)	Merck & Co.	2D 3D TSV
32292562	73	Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.	ACS Med Chem Lett 11: 541-549 (2020)	Genentech	2D 3D TSV
32292560	15	Discovery of [1,2,4]Triazolo[1,5-	ACS Med Chem Lett 11: 528-534 (2020)	Teijin Pharma Limited	2D 3D TSV
32292559	15	Synthesis and Evaluation of Noncovalent Naphthalene-Based KEAP1-NRF2 Inhibitors.	ACS Med Chem Lett 11: 521-527 (2020)	University of Illinois at Chicago	2D 3D TSV
32292558	4	Catching a Moving Target: Comparative Modeling of Flaviviral NS2B-NS3 Reveals Small Molecule Zika Protease Inhibitors.	ACS Med Chem Lett 11: 514-520 (2020)	Freie Universit£t Berlin	2D 3D TSV
32292557	119	Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases.	ACS Med Chem Lett 11: 506-513 (2020)	Gilead Sciences	2D 3D TSV
32292556	41	Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RET	ACS Med Chem Lett 11: 497-505 (2020)	University of Manchester	2D 3D TSV
32292555	44	Accelerated Discovery of Novel Ponatinib Analogs with Improved Properties for the Treatment of Parkinson's Disease.	ACS Med Chem Lett 11: 491-496 (2020)	University of Oxford	2D 3D TSV
32292554	45	Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.	ACS Med Chem Lett 11: 485-490 (2020)	Biogen	2D 3D TSV
32292546	16	Discovery and Pharmacokinetics of Sulfamides and Guanidines as Potent Human Arginase 1 Inhibitors.	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.	ACS Med Chem Lett 11: 419-425 (2020)	University of Florida	2D 3D TSV
32292543	38	Discovery of	ACS Med Chem Lett 11: 414-418 (2020)	Cadila Healthcare Ltd.	2D 3D TSV
32292542	6	Selective Estrogen Receptor Degraders for the Potential Treatment of Cancer.	ACS Med Chem Lett 11: 412-413 (2020)	Usona Institute	2D 3D TSV
32292541	9	Bifunctional Pyrimidines as Modulators of Focal Adhesion Kinase.	ACS Med Chem Lett 11: 409-411 (2020)	Usona Institute	2D 3D TSV
32292540	8	Cereblon Based Immunomodulatory Therapeutics.	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.	J Med Chem 63: 4685-4700 (2020)	Central South University	2D 3D TSV
32286062	24	Both d- and l-Glucose Polyphosphates Mimic d-	J Med Chem 63: 5442-5457 (2020)	University of Oxford	2D 3D TSV
32285676	10	Design, Synthesis, and Biological Evaluation of New Peripheral 5HT	J Med Chem 63: 4171-4182 (2020)	Gwangju Institute of Science and Technology	2D 3D TSV
32284225	6	Synthesis and evaluation of 7-azaindole derivatives bearing benzocycloalkanone motifs as protein kinase inhibitors.	Bioorg Med Chem 28: (2020)	North-West University	2D 3D TSV
32283019	2	Ene-yne Hydroquinones from a Marine-derived Strain of the Fungus	J Nat Prod 83: 1258-1264 (2020)	Chinese Academy of Sciences	2D 3D TSV
32282207	80	Discovery and Optimization of Glucose Uptake Inhibitors.	J Med Chem 63: 5201-5211 (2020)	Kadmon Corporation, LLC.	2D 3D TSV
32282200	320	Design and Synthesis of Bitopic 2-Phenylcyclopropylmethylamine (PCPMA) Derivatives as Selective Dopamine D3 Receptor Ligands.	J Med Chem 63: 4579-4602 (2020)	ShanghaiTech University	2D 3D TSV
32278710	48	Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.	Bioorg Med Chem 28: (2020)	Astellas Pharma Inc.	2D 3D TSV
32278513	8	Screening of chalcone analogs with anti-depressant, anti-inflammatory, analgesic, and COX-2-inhibiting effects.	Bioorg Med Chem Lett 30: (2020)	China-Japan Union Hospital of Jilin University	2D 3D TSV
32276831	10	Chalcones bearing a 3,4,5-trimethoxyphenyl motif are capable of selectively inhibiting oncogenic K-Ras signaling.	Bioorg Med Chem Lett 30: (2020)	Wright State University	2D 3D TSV
32275432	49	Achieving	J Med Chem 63: 4047-4068 (2020)	TBA	2D 3D TSV
32275415	2	MymA Bioactivated Thioalkylbenzoxazole Prodrug Family Active against	J Med Chem 63: 4732-4748 (2020)	GlaxoSmithKline	2D 3D TSV
32273218	21	Synthesis and biological evaluation of heterocyclic bis-aryl amides as novel Src homology 2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors.	Bioorg Med Chem Lett 30: (2020)	Jiangnan University	2D 3D TSV
32273216	6	Ansamycin derivatives from the marine-derived Streptomyces sp. SCSGAA 0027 and their cytotoxic and antiviral activities.	Bioorg Med Chem Lett 30: (2020)	South China Sea Institute of Oceanology	2D 3D TSV
32273215	16	Influence of side-chain changes on histone deacetylase inhibitory and cytotoxicity activities of curcuminoid derivatives.	Bioorg Med Chem Lett 30: (2020)	Khon Kaen University)	2D 3D TSV
32272481	9	Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors	Nature 582: 289-293 (2020)	ShanghaiTech University	2D 3D TSV
32271569	76	Truncated (N)-Methanocarba Nucleosides as Partial Agonists at Mouse and Human A	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.	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.	J Med Chem 63: 4701-4715 (2020)	Shandong University	2D 3D TSV
32259446	1	Molecule Property Analyses of Active Compounds for	J Med Chem 63: 8917-8955 (2020)	Russian Academy of Science	2D 3D TSV
32255647	73	Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.	J Med Chem 63: 5242-5256 (2020)	University of Texas Medical Branch	2D 3D TSV
32255628	20	PTP1B-Inhibiting Branched-Chain Fatty Acid Dimers from	J Nat Prod 83: 1598-1610 (2020)	University of Copenhagen	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.	Sci Transl Med 12: 1-15 (2020)	University of North Carolina at Chapel Hill	2D 3D TSV
32253095	78	Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.	Bioorg Med Chem 28: (2020)	Pfizer Inc.	2D 3D TSV
32250617	27	Identification of the Clinical Development Candidate	J Med Chem 63: 6679-6693 (2020)	Array BioPharma Inc	2D 3D TSV
32250117	27	Interrogating the Lactate Dehydrogenase Tetramerization Site Using (Stapled) Peptides.	J Med Chem 63: 4628-4643 (2020)	Universit£ Catholique de Louvain (UCLouvain)	2D 3D TSV
32249117	10	S1P	Bioorg Med Chem Lett 30: (2020)	Peking Union Medical College and Chinese Academy of Medical Sciences	2D 3D TSV
32249116	1	Identification of a new class of non-electrophilic TRPA1 agonists by a structure-based virtual screening approach.	Bioorg Med Chem Lett 30: (2020)	Kyoto University	2D 3D TSV
32249114	3	In silico and in vitro studies on interaction of novel non-imidazole histamine H	Bioorg Med Chem Lett 30: (2020)	Jagiellonian University Medical College	2D 3D TSV
32248693	73	Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.	J Med Chem 63: 4929-4956 (2020)	University of Washington	2D 3D TSV
32247750	1	Decades-old renin inhibitors are still struggling to find a niche in antihypertensive therapy. A fleeting look at the old and the promising new molecules.	Bioorg Med Chem 28: (2020)	Annamalai University	2D 3D TSV
32247749	119	Chemical puzzles in the search for new, flexible derivatives of lurasidone as antipsychotic drugs.	Bioorg Med Chem 28: (2020)	Cracow University of Technology	2D 3D TSV
32247748	2	A chemically stable peptide agonist to neuromedin U receptor type 2.	Bioorg Med Chem 28: (2020)	Tokyo University of Pharmacy and Life Sciences	2D 3D TSV
32247735	2	Finding the mechanism of esterase D activation by a small molecule.	Bioorg Med Chem Lett 30: (2020)	Shandong University	2D 3D TSV
32247733	43	Synthesis of novel tryptanthrin derivatives as dual inhibitors of indoleamine 2,3-dioxygenase 1 and tryptophan 2,3-dioxygenase.	Bioorg Med Chem Lett 30: (2020)	Tongji University	2D 3D TSV
32247729	23	Environment-sensitive fluorescent inhibitors of histone deacetylase.	Bioorg Med Chem Lett 30: (2020)	Shandong University	2D 3D TSV
32245563	7	New CDK8 inhibitors as potential anti-leukemic agents - Design, synthesis and biological evaluation.	Bioorg Med Chem 28: (2020)	Nord University	2D 3D TSV
32243152	6	Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.	J Med Chem 63: 4293-4305 (2020)	Dana-Farber Cancer Institute	2D 3D TSV
32241719	68	New 8-amino-1,2,4-triazolo[4,3-a]pyrazin-3-one derivatives. Evaluation of different moieties on the 6-aryl ring to obtain potent and selective human A	Bioorg Med Chem Lett 30: (2020)	Universit£ degli Studi di Firenze	2D 3D TSV
32240584	7	Fragment-Based Design of	J Med Chem 63: 4749-4761 (2020)	University of Cambridge	2D 3D TSV
32239935	9	Furofuranone Lignans from	J Nat Prod 83: 1424-1431 (2020)	Universidad Aut£noma del Estado de Morelos	2D 3D TSV
32234278	11	Identification of an ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-1-carboxylate as a catalytic inhibitor of DNA gyrase.	Bioorg Med Chem 28: (2020)	University of Iowa	2D 3D TSV
32233403	135	Red-Emitting Dibenzodiazepinone Derivatives as Fluorescent Dualsteric Probes for the Muscarinic Acetylcholine M	J Med Chem 63: 4133-4154 (2020)	University of Regensburg	2D 3D TSV
32233366	32	Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface.	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.	J Med Chem 63: 3996-4004 (2020)	KU Leuven	2D 3D TSV
32227883	40	Isolation and Synthesis of Veranamine, an Antidepressant Lead from the Marine Sponge	J Nat Prod 83: 1092-1098 (2020)	University of Mississippi	2D 3D TSV
32223240	22	Imidazo[1,2-	J Med Chem 63: 4603-4616 (2020)	University of Pisa	2D 3D TSV
32223238	2	Multistep Binding of the Non-Steroidal Inhibitors Orteronel and Seviteronel to Human Cytochrome P450 17A1 and Relevance to Inhibition of Enzyme Activity.	J Med Chem 63: 6513-6522 (2020)	Vanderbilt University School of Medicine	2D 3D TSV
32223236	31	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.	J Med Chem 63: 4315-4333 (2020)	Vanderbilt University	2D 3D TSV
32223235	12	Discovery of Selective Small Molecule Degraders of BRAF-V600E.	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.	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.	J Med Chem 63: 4306-4314 (2020)	University of Florence	2D 3D TSV
32222339	5	Synthesis of novel dual target inhibitors of PARP and HSP90 and their antitumor activities.	Bioorg Med Chem 28: (2020)	Fujian Medical University (FMU)	2D 3D TSV
32216992	31	Discovery of heterocyclic carbohydrazide derivatives as novel selective fatty acid amide hydrolase inhibitors: design, synthesis and anti-neuroinflammatory evaluation.	Bioorg Med Chem Lett 30: (2020)	China Pharmaceutical University	2D 3D TSV
32216347	17	Modulating Heparanase Activity: Tuning Sulfation Pattern and Glycosidic Linkage of Oligosaccharides.	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.	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.	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.	J Med Chem 63: 4256-4292 (2020)	National Center for Advancing Translational Sciences	2D 3D TSV
32212728	37	Optimization of Tetrahydroindazoles as Inhibitors of Human Dihydroorotate Dehydrogenase and Evaluation of Their Activity and In Vitro Metabolic Stability.	J Med Chem 63: 3915-3934 (2020)	Karolinska Institutet	2D 3D TSV
32209296	58	Design, synthesis & biological evaluation of ferulic acid-based small molecule inhibitors against tumor-associated carbonic anhydrase IX.	Bioorg Med Chem 28: (2020)	Jamia Millia Islamia	2D 3D TSV
32209293	2	The signal peptide as a new target for drug design.	Bioorg Med Chem Lett 30: (2020)	University of Nevada	2D 3D TSV
32209292	6	Ultrasound assisted rapid synthesis of mefenamic acid based indole derivatives under ligand free Cu-catalysis: Their pharmacological evaluation.	Bioorg Med Chem Lett 30: (2020)	Andhra University	2D 3D TSV
32208684	6	2-Aminophenylpyrimidines as Novel Inhibitors of Aminoacyl-tRNA Synthetase Interacting Multifunctional Protein 2 (AIMP2)-DX2 for Lung Cancer Treatment.	J Med Chem 63: 3908-3914 (2020)	CHA University	2D 3D TSV
32208614	7	CN128: A New Orally Active Hydroxypyridinone Iron Chelator.	J Med Chem 63: 4215-4226 (2020)	Zhejiang University	2D 3D TSV
32208600	102	Discovery of 8-Methyl-pyrrolo[1,2-	J Med Chem 63: 3956-3975 (2020)	Chinese Academy of Sciences	2D 3D TSV
32205045	6	Anti-inflammatory effect and inhibition of nitric oxide production by targeting COXs and iNOS enzymes with the 1,2-diphenylbenzimidazole pharmacophore.	Bioorg Med Chem 28: (2020)	Instituto Polit£cnico Nacional	2D 3D TSV
32202790	160	Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.	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.	J Med Chem 63: 4155-4170 (2020)	GlaxoSmithKline	2D 3D TSV
32202781	37	Identification and Optimization of EphA2-Selective Bicycles for the Delivery of Cytotoxic Payloads.	J Med Chem 63: 4107-4116 (2020)	BicycleTx Limited	2D 3D TSV
32202425	47	Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.	J Med Chem 63: 4090-4106 (2020)	Chinese Academy of Sciences	2D 3D TSV
32202101	120	Regiospecific Introduction of Halogens on the 2-Aminobiphenyl Subunit Leading to Highly Potent and Selective M3 Muscarinic Acetylcholine Receptor Antagonists and Weak Inverse Agonists.	J Med Chem 63: 4349-4369 (2020)	Friedrich-Alexander-Universit£t Erlangen-N£rnberg	2D 3D TSV
32201192	1	High throughput in vivo phenotypic screening for drug repurposing: Discovery of MLR-1023 a novel insulin sensitizer and novel Lyn kinase activator with clinical proof of concept.	Bioorg Med Chem 28: (2020)	Melior Discovery, Inc.	2D 3D TSV
32201021	15	4-Hydroxy-3-methylbenzofuran-2-carbohydrazones as novel LSD1 inhibitors.	Bioorg Med Chem Lett 30: (2020)	Liaocheng University	2D 3D TSV
32201020	26	Novel pyridone EP	Bioorg Med Chem Lett 30: (2020)	Inception Sciences Canada Inc.	2D 3D TSV
32199732	48	Discovery of novel pyrrole derivatives as potent agonists for the niacin receptor GPR109A.	Bioorg Med Chem Lett 30: (2020)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
32199690	6	Synthesis and antiproliferative activity of sulfonamide-based peptidomimetic calpain inhibitors.	Bioorg Med Chem 28: (2020)	University of Tennessee Health Science Center	2D 3D TSV
32199689	64	Design, synthesis, and biological activity of new endomorphin analogs with multi-site modifications.	Bioorg Med Chem 28: (2020)	Lanzhou University	2D 3D TSV
32198291	3	Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved ?-ketoamide inhibitors.	Science 368: 409-412 (2020)	University of Lubeck	2D 3D TSV
32197813	13	Inhibition of HIV-1 RT activity by a new series of 3-(1,3,4-thiadiazol-2-yl)thiazolidin-4-one derivatives.	Bioorg Med Chem 28: (2020)	University of Messina	2D 3D TSV
32196343	19	Prenylated Phenolic Compounds from the Aerial Parts of	J Nat Prod 83: 814-824 (2020)	Peking University	2D 3D TSV
32196342	20	Design, Synthesis, Dynamic Docking, Biochemical Characterization, and	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.	J Med Chem 63: 3485-3507 (2020)	University of Antwerp	2D 3D TSV
32192797	9	Discovery of cyclic guanidine-linked sulfonamides as inhibitors of LMTK3 kinase.	Bioorg Med Chem Lett 30: (2020)	San Diego State University	2D 3D TSV
32192796	25	Novel quinolin-4(1H)-one derivatives as multi-effective aldose reductase inhibitors for treatment of diabetic complications: Synthesis, biological evaluation, and molecular modeling studies.	Bioorg Med Chem Lett 30: (2020)	Institute of Technology	2D 3D TSV
32191459	12	-Acylethanolamine Acid Amidase (NAAA): Structure, Function, and Inhibition.	J Med Chem 63: 7475-7490 (2020)	University of California	2D 3D TSV
32189500	56	LMP2 Inhibitors as a Potential Treatment for Alzheimer's Disease.	J Med Chem 63: 3763-3783 (2020)	University of Kentucky	2D 3D TSV
32184974	222	Structure-Functional-Selectivity Relationship Studies of Novel Apomorphine Analogs to Develop D1R/D2R Biased Ligands.	ACS Med Chem Lett 11: 385-392 (2020)	Duke University	2D 3D TSV
32184973	105	Design and Optimization of 3'-(Imidazo[1,2-	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.	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.	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.	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.	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.	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.	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.	ACS Med Chem Lett 11: 327-333 (2020)	Genentech	2D 3D TSV
32184962	17	Regioisomeric Family of Novel Fluorescent Substrates for SHIP2.	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)-1	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 LTA	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.	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.	ACS Med Chem Lett 11: 266-271 (2020)	Bristol-Myers Squibb Research & Development	2D 3D TSV
32184044	23	Selective CDK6 degradation mediated by cereblon, VHL, and novel IAP-recruiting PROTACs.	Bioorg Med Chem Lett 30: (2020)	GlaxoSmithKline	2D 3D TSV
32182061	5	Metabolic and Pharmaceutical Aspects of Fluorinated Compounds.	J Med Chem 63: 6315-6386 (2020)	Bristol Myers Squibb Company	2D 3D TSV
32178974	1	Synthesis and pharmacokinetic study of a	Bioorg Med Chem Lett 30: (2020)	Harvard Medical School	2D 3D TSV
32176488	48	Lead Optimization of Benzoxazolone Carboxamides as Orally Bioavailable and CNS Penetrant Acid Ceramidase Inhibitors.	J Med Chem 63: 3634-3664 (2020)	University of Illinois at Chicago	2D 3D TSV
32173198	58	Discovery of 4-arylquinoline-2-carboxamides, highly potent and selective class of mGluR2 negative allosteric modulators: From HTS to activity in animal models.	Bioorg Med Chem Lett 30: (2020)	Merck & Co.	2D 3D TSV
32173197	45	Lead discovery, chemical optimization, and biological evaluation studies of novel histone methyltransferase SET7 small-molecule inhibitors.	Bioorg Med Chem Lett 30: (2020)	University of Chinese Academy of Sciences	2D 3D TSV
32173195	5	Design, synthesis and biological evaluation of 4-(pyridin-4-yloxy)benzamide derivatives bearing a 5-methylpyridazin-3(2H)-one fragment.	Bioorg Med Chem Lett 30: (2020)	Jiangxi Science & Technology Normal University	2D 3D TSV
32173116	8	A new series of aryl sulfamate derivatives: Design, synthesis, and biological evaluation.	Bioorg Med Chem 28: (2020)	University of Sharjah	2D 3D TSV
32171616	32	Novel PDE5 inhibitors derived from rutaecarpine for the treatment of Alzheimer's disease.	Bioorg Med Chem Lett 30: (2020)	Changzhou University	2D 3D TSV
32165042	24	Discovery of 9-phenylacridinediones as highly selective butyrylcholinesterase inhibitors through structure-based virtual screening.	Bioorg Med Chem Lett 30: (2020)	University of the Western Cape	2D 3D TSV
32165041	52	Structural investigation on thiazolo[5,4-d]pyrimidines to obtain dual-acting blockers of CD73 and adenosine A	Bioorg Med Chem Lett 30: (2020)	Universit£ degli Studi di Firenze	2D 3D TSV
32163286	1	Antiausterity Activity of Secondary Metabolites from the Roots of	J Nat Prod 83: 1099-1106 (2020)	University of Innsbruck	2D 3D TSV
32163284	1	Anti-inflammatory Metabolites from	J Nat Prod 83: 881-887 (2020)	Korea University	2D 3D TSV
32162512	9	TREK Channel Family Activator with a Well-Defined Structure-Activation Relationship for Pain and Neurogenic Inflammation.	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.	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.	J Med Chem 63: 3596-3609 (2020)	Julius Maximilian University of W£rzburg	2D 3D TSV
32153186	118	Discovery of Thieno[2,3-	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	J Med Chem 63: 3047-3065 (2020)	Universit£ del Piemonte Orientale	2D 3D TSV
32150414	58	Bicyclic ?-Iminophosphonates as High Affinity Imidazoline I	J Med Chem 63: 3610-3633 (2020)	University of Barcelona	2D 3D TSV
32150413	9	Bioactive Azepine-Indole Alkaloids from	J Nat Prod 83: 852-863 (2020)	Universidade Federal do Rio Grande do Sul-UFRGS	2D 3D TSV
32150407	27	Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-?-lactamases.	J Med Chem 63: 7491-7507 (2020)	Qpex Biopharma, Inc.	2D 3D TSV
32150405	75	CDK7 Inhibitors in Cancer Therapy: The Sweet Smell of Success?	J Med Chem 63: 7458-7474 (2020)	Lebanese American University	2D 3D TSV
32146060	37	Design, synthesis and evaluation of phthalide alkyl tertiary amine derivatives as promising acetylcholinesterase inhibitors with high potency and selectivity against Alzheimer's disease.	Bioorg Med Chem 28: (2020)	Guizhou Medical University	2D 3D TSV
32143887	58	Design and synthesis of novel 2-arylbenzimidazoles as selective mutant isocitrate dehydrogenase 2 R140Q inhibitors.	Bioorg Med Chem Lett 30: (2020)	Shandong Provincial Hospital Affiliated to Shandong University	2D 3D TSV
32142284	25	Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.	J Med Chem 63: 3215-3226 (2020)	Takeda Pharmaceutical Co., Ltd	2D 3D TSV
32142281	24	Medicinal Chemistry of Inhibiting RING-Type E3 Ubiquitin Ligases.	J Med Chem 63: 7957-7985 (2020)	Genentech Inc.	2D 3D TSV
32142276	2	Distribution of Bibenzyls, Prenyl Bibenzyls, Bis-bibenzyls, and Terpenoids in the Liverwort Genus	J Nat Prod 83: 756-769 (2020)	Tokushima Bunri University	2D 3D TSV
32141297	95	Structure-Activity Relationship Studies of Tetrahydroquinolone Free Fatty Acid Receptor 3 Modulators.	J Med Chem 63: 3577-3595 (2020)	University of Copenhagen	2D 3D TSV
32139324	34	Design and synthesis of a novel class EGFR/HER2 dual inhibitors containing tricyclic oxazine fused quinazolines scaffold.	Bioorg Med Chem Lett 30: (2020)	Jiangsu Aosaikang Pharmaceutical Co. Ltd	2D 3D TSV
32134652	57	Identification of Potent	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.	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.	J Med Chem 63: 3538-3551 (2020)	Indiana University School of Medicine	2D 3D TSV
32130004	4	Discovery of CRBN E3 Ligase Modulator CC-92480 for the Treatment of Relapsed and Refractory Multiple Myeloma.	J Med Chem 63: 6648-6676 (2020)	Celgene Corporation	2D 3D TSV
32129996	166	Discovery and SARs of 5-Chloro-	J Med Chem 63: 3327-3347 (2020)	Anhui Medical University	2D 3D TSV
32129622	1	Polyacetylenes from	J Nat Prod 83: 918-926 (2020)	University of Vienna	2D 3D TSV
32127262	40	Novel class of benzimidazole-thiazole hybrids: The privileged scaffolds of potent anti-inflammatory activity with dual inhibition of cyclooxygenase and 15-lipoxygenase enzymes.	Bioorg Med Chem 28: (2020)	Assiut University	2D 3D TSV
32125159	60	Peptidomimetic Vinyl Heterocyclic Inhibitors of Cruzain Effect Antitrypanosomal Activity.	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.	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
32122754	8	Design and synthesis of dansyl-labeled inhibitors of steroid sulfatase for optical imaging.	Bioorg Med Chem 28: (2020)	CHU de Qu£bec - Research Center	2D 3D TSV
32122740	27	Discovery and optimization of 2-aminopyridine derivatives as novel and selective JAK2 inhibitors.	Bioorg Med Chem Lett 30: (2020)	East China University of Science & Technology	2D 3D TSV
32122739	6	Design and synthesis of potent PAR-1 antagonists based on vorapaxar.	Bioorg Med Chem Lett 30: (2020)	Hebei University of Technology	2D 3D TSV
32122737	85	Synthesis and biological investigation of triazolopyridinone derivatives as potential multireceptor atypical antipsychotics.	Bioorg Med Chem Lett 30: (2020)	University of Chinese Academy of Sciences	2D 3D TSV
32118427	205	Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.	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.	J Med Chem 63: 3370-3380 (2020)	Guangzhou University of Chinese Medicine	2D 3D TSV
32113843	24	Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.	Bioorg Med Chem Lett 30: (2020)	Orion Pharma	2D 3D TSV
32113841	19	Discovery of 4-((1-(1H-imidazol-2-yl)alkoxy)methyl)pyridines as a new class of Trypanosoma cruzi growth inhibitors.	Bioorg Med Chem Lett 30: (2020)	IRBM Spa	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.	J Med Chem 63: 3348-3358 (2020)	GlaxoSmithKline	2D 3D TSV
32107165	57	Identification of C10 nitrogen-containing aporphines with dopamine D	Bioorg Med Chem Lett 30: (2020)	City University of New York	2D 3D TSV
32105470	43	Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.	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.	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.	J Med Chem 63: 2974-2985 (2020)	Ocean University of China	2D 3D TSV
32100544	3	Diterpenoids from the Root Bark of	J Nat Prod 83: 1229-1237 (2020)	Chinese Academy of Sciences	2D 3D TSV
32098709	12	One-pot synthesis of thioxo-tetrahydropyrimidine derivatives as potent ?-glucuronidase inhibitor, biological evaluation, molecular docking and molecular dynamics studies.	Bioorg Med Chem 28: (2020)	Shiraz University of Medical Sciences	2D 3D TSV
32097010	19	Novel ?- and ?-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.	J Med Chem 63: 3261-3273 (2020)	Korea University	2D 3D TSV
32097005	4	Effective Application of Metabolite Profiling in Drug Design and Discovery.	J Med Chem 63: 6387-6406 (2020)	Pfizer Inc.	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.	J Med Chem 63: 2854-2876 (2020)	University of Oklahoma	2D 3D TSV
32094009	36	Novel cilengitide-based cyclic RGD peptides as ?v?	Bioorg Med Chem Lett 30: (2020)	Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL)	2D 3D TSV
32091206	22	Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.	J Med Chem 63: 3227-3237 (2020)	Moffitt Cancer Center	2D 3D TSV
32089426	35	3,3-Difluoro-3,4,5,6-tetrahydropyridin-2-amines: Potent and permeable BACE-1 inhibitors.	Bioorg Med Chem Lett 30: (2020)	Janssen Research & Development	2D 3D TSV
32089391	8	DNA sequence-specific ligands. XVIII. Synthesis, physico-chemical properties; genetic, virological, and biochemical studies of fluorescent dimeric bisbenzimidazoles DBPA(n).	Bioorg Med Chem 28: (2020)	Russian Academy of Sciences	2D 3D TSV
32089390	10	Design, synthesis and evaluation of flurbiprofen-clioquinol hybrids as multitarget-directed ligands against Alzheimer's disease.	Bioorg Med Chem 28: (2020)	Guizhou Medical University	2D 3D TSV
32088129	19	Design, synthesis and anticancer activities of novel dual poly(ADP-ribose) polymerase-1/histone deacetylase-1 inhibitors.	Bioorg Med Chem Lett 30: (2020)	Hefei University of Technology	2D 3D TSV
32088128	40	Discovery of novel hydroxyamidine derivatives as indoleamine 2,3-dioxygenase 1 inhibitors with in vivo anti-tumor efficacy.	Bioorg Med Chem Lett 30: (2020)	Fudan University	2D 3D TSV
32088125	49	Discovery of 1,8-naphthyridin-2-one derivative as a potent and selective sphingomyelin synthase 2 inhibitor.	Bioorg Med Chem 28: (2020)	Takeda Pharmaceutical Company, Ltd.	2D 3D TSV
32088124	13	Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7.	Bioorg Med Chem 28: (2020)	China Pharmaceutical University	2D 3D TSV
32085971	63	Development of 2-(4-pyridyl)-benzimidazoles as PKN2 chemical tools to probe cancer.	Bioorg Med Chem Lett 30: (2020)	University of Sussex	2D 3D TSV
32085964	9	Synthesis, biological evaluation and molecular modeling study of [1,2,4]-Triazolo[4,3-c]quinazolines: New class of EGFR-TK inhibitors.	Bioorg Med Chem 28: (2020)	Mansoura University	2D 3D TSV
32084316	3	Discovery of 4,6-	J Med Chem 63: 2877-2893 (2020)	Hubei University of Technology	2D 3D TSV
32083868	5	Isolation and Structural Characterization of Specific Bacterial ?-Glucuronidase Inhibitors from Noni (	J Nat Prod 83: 825-833 (2020)	Wayne State University	2D 3D TSV
32083858	145	Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.	J Med Chem 63: 5102-5118 (2020)	TBA	2D 3D TSV
32081628	14	Design, synthesis and identification of N, N-dibenzylcinnamamide (DBC) derivatives as novel ligands for ?-synuclein fibrils by SPR evaluation system.	Bioorg Med Chem 28: (2020)	Fudan University	2D 3D TSV
32081010	18	Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.	J Med Chem 63: 2620-2637 (2020)	Bristol-Myers Squibb Research and Development	2D 3D TSV
32077284	12	Synthesis and Biological Evaluation of Tryptamines Found in Hallucinogenic Mushrooms: Norbaeocystin, Baeocystin, Norpsilocin, and Aeruginascin.	J Nat Prod 83: 461-467 (2020)	Usona Institute	2D 3D TSV
32077280	69	Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.	J Med Chem 63: 2958-2973 (2020)	Genomics Institute of the Novartis Research Foundation (GNF)	2D 3D TSV
32073845	74	Discovery of 4-((2	J Med Chem 63: 5697-5722 (2020)	Novartis Institutes for BioMedical Research	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.	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.	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.	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.	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.	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.	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.	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.	ACS Med Chem Lett 11: 127-132 (2020)	University of California	2D 3D TSV
32071676	52	Discovery of	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.	ACS Med Chem Lett 11: 101-107 (2020)	Agios Pharmaceuticals, Inc.	2D 3D TSV
32069402	1	Serendipitous Discovery of Leucine and Methionine Depletion Agents during the Search for Polyamine Transport Inhibitors.	J Med Chem 63: 2814-2832 (2020)	University of Central Florida	2D 3D TSV
32069401	27	Design, Synthesis, and Biological Evaluation of Imidazo[1,2-	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.	J Med Chem 63: 3120-3130 (2020)	University of Illinois at Chicago	2D 3D TSV
32068404	4	Dual Binding to Orthosteric and Allosteric Sites Enhances the Anticancer Activity of a TRAP1-Targeting Drug.	J Med Chem 63: 2930-2940 (2020)	Ulsan National Institutes of Science and Technology (UNIST)	2D 3D TSV
32067892	30	A bicyclic pentapeptide-based highly potent and selective pan-SIRT1/2/3 inhibitor harboring N	Bioorg Med Chem 28: (2020)	Fudan University	2D 3D TSV
32067866	13	Structural determinants of affinity and selectivity in the binding of inhibitors to histone deacetylase 6.	Bioorg Med Chem Lett 30: (2020)	University of Pennsylvania	2D 3D TSV
32063432	39	Design, synthesis and evaluation of unnatural peptides as T1R2/T1R3 PAMs.	Bioorg Med Chem Lett 30: (2020)	Ajinomoto Co., Inc.	2D 3D TSV
32063431	12	Recent advances in TRPV4 agonists and antagonists.	Bioorg Med Chem Lett 30: (2020)	GlaxoSmithKline	2D 3D TSV
32063403	22	Design, synthesis and biological evaluation of anthranilamide derivatives as potent SMO inhibitors.	Bioorg Med Chem 28: (2020)	China Pharmaceutical University	2D 3D TSV
32061500	200	Multi-step parallel synthesis enabled optimization of benzofuran derivatives as pan-genotypic non-nucleoside inhibitors of HCV NS5B.	Bioorg Med Chem Lett 30: (2020)	Merck & Co.	2D 3D TSV
32061485	27	Unexpected small molecules as novel SIRT2 suicide inhibitors.	Bioorg Med Chem 28: (2020)	Engineering Research Center for the Development and Application of Ethnic Medicine and TCM (Ministry of Education)	2D 3D TSV
32061484	16	Pyrimethamine conjugated histone deacetylase inhibitors: Design, synthesis and evidence for triple negative breast cancer selective cytotoxicity.	Bioorg Med Chem 28: (2020)	Georgia Institute of Technology	2D 3D TSV
32058719	22	Yanhusanines A-F, Isoquinoline-Derived Alkaloid Enantiomers from	J Nat Prod 83: 489-496 (2020)	Chinese Academy of Medical Sciences and Peking Union Medical College	2D 3D TSV
32058712	22	Blocking the CGRP Pathway for Acute and Preventive Treatment of Migraine: The Evolution of Success.	J Med Chem 63: 6600-6623 (2020)	Biohaven Pharmaceuticals Inc.	2D 3D TSV
32057583	21	Discovery and optimization of 4-oxo-2-thioxo-thiazolidinones as NOD-like receptor (NLR) family, pyrin domain-containing protein 3 (NLRP3) inhibitors.	Bioorg Med Chem Lett 30: (2020)	Xiamen University	2D 3D TSV
32057582	29	Design, synthesis and biological evaluation of HIV-1 protease inhibitors with morpholine derivatives as P2 ligands in combination with cyclopropyl as P1' ligand.	Bioorg Med Chem Lett 30: (2020)	Jinzhou Medical University	2D 3D TSV
32057241	14	Novel, Self-Assembling Dimeric Inhibitors of Human ? Tryptase.	J Med Chem 63: 3004-3027 (2020)	Weill Cornell Medicine	2D 3D TSV
32052631	22	d-	J Med Chem 63: 3238-3251 (2020)	University of Oxford	2D 3D TSV
32051094	84	A small molecule inhibitor of PCSK9 that antagonizes LDL receptor binding via interaction with a cryptic PCSK9 binding groove.	Bioorg Med Chem 28: (2020)	Nyrada Inc.	2D 3D TSV
32049522	1	Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.	J Med Chem 63: 3252-3260 (2020)	University of Oxford	2D 3D TSV
32049517	5	The Medicinal Chemistry in the Era of Machines and Automation: Recent Advances in Continuous Flow Technology.	J Med Chem 63: 6624-6647 (2020)	University of Perugia	2D 3D TSV
32046917	8	Discovery of disubstituted xylylene derivatives as small molecule direct inhibitors of Keap1-Nrf2 protein-protein interaction.	Bioorg Med Chem 28: (2020)	The State University of New Jersey	2D 3D TSV
32046916	2	Discovery and structure-activity relationships of spiroindolines as novel inducers of oligodendrocyte progenitor cell differentiation.	Bioorg Med Chem 28: (2020)	Asubio Pharma Co., Ltd.	2D 3D TSV
32046903	30	Discovery of 2-aminoisobutyric acid ethyl ester (AIBEE) phosphoramidate prodrugs for delivering nucleoside HCV NS5B polymerase inhibitors.	Bioorg Med Chem Lett 30: (2020)	Abbvie Inc	2D 3D TSV
32045236	34	2-Substituted ?,?-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.	J Med Chem 63: 2941-2957 (2020)	University of Bonn	2D 3D TSV
32044231	4	STAT3 inhibitory activity of naphthoquinones isolated from Tabebuia avellanedae.	Bioorg Med Chem 28: (2020)	Kindai University	2D 3D TSV
32044230	15	An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.	Bioorg Med Chem 28: (2020)	University of California	2D 3D TSV
32039601	14	DNA-Encoded Library Screening as Core Platform Technology in Drug Discovery: Its Synthetic Method Development and Applications in DEL Synthesis.	J Med Chem 63: 6578-6599 (2020)	Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)	2D 3D TSV
32038769	36	Synthesis and Evaluation of Bicyclic Hydroxypyridones as Inhibitors of Catechol	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.	J Med Chem 63: 2588-2619 (2020)	Istituto Italiano di Tecnologia	2D 3D TSV
32035750	28	Synthesis, biological evaluation and molecular modeling study of 2-amino-3,5-disubstituted-pyrazines as Aurora kinases inhibitors.	Bioorg Med Chem 28: (2020)	Lanzhou University	2D 3D TSV
32035700	93	Pro-apoptotic carboxamide analogues of natural fislatifolic acid targeting Mcl-1 and Bcl-2.	Bioorg Med Chem Lett 30: (2020)	Universit£ Paris-Saclay	2D 3D TSV
32035699	8	Inhibition of cholesteryl ester synthesis by polyacetylenes from Atractylodes rhizome.	Bioorg Med Chem Lett 30: (2020)	Kitasato University	2D 3D TSV
32035698	40	Discovery and SAR of aryl hydroxy pyrimidinones as potent small molecule agonists of the GPCR APJ.	Bioorg Med Chem Lett 30: (2020)	Bristol-Myers Squibb Research and Development	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.	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	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.	J Med Chem 63: 3317-3326 (2020)	University of Wollongong	2D 3D TSV
32031795	23	Antimycobacterial Rufomycin Analogues from	J Nat Prod 83: 657-667 (2020)	University of Illinois at Chicago	2D 3D TSV
32031378	17	Acetylene Group, Friend or Foe in Medicinal Chemistry.	J Med Chem 63: 5625-5663 (2020)	St. John's University	2D 3D TSV
32030982	14	The Other Angiotensin II Receptor: AT	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.	J Med Chem 63: 1937-1963 (2020)	University of Chemistry and Technology Prague	2D 3D TSV
32027491	4	Two Decades of Successful SAR-Grounded Stories of the Novel Bacterial Topoisomerase Inhibitors (NBTIs).	J Med Chem 63: 5664-5674 (2020)	National Institute of Chemistry	2D 3D TSV
32026697	111	Discovery and Development of 3-(6-Chloropyridine-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane Hydrochloride (SUVN-911): A Novel, Potent, Selective, and Orally Active Neuronal Nicotinic Acetylcholine ?4?2 Receptor Antagonist for the Treatment of Depression.	J Med Chem 63: 2833-2853 (2020)	Suven Life Sciences Ltd.	2D 3D TSV
32023060	19	Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRAS	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.	J Med Chem 63: 5089-5099 (2020)	Chugai Pharmaceutical Co., Ltd.	2D 3D TSV
32019712	3	BET proteins: Investigating BRDT as a potential target for male contraception.	Bioorg Med Chem Lett 30: (2020)	University of Minnesota	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?	J Med Chem 63: 3274-3289 (2020)	Philipps-University Marburg	2D 3D TSV
32008906	28	Design, synthesis and evaluation of new 4-arylthiazole-2-amine derivatives as acetylcholinesterase inhibitors.	Bioorg Med Chem Lett 30: (2020)	Hebei University	2D 3D TSV
32008883	41	Anti-diabetic drugs recent approaches and advancements.	Bioorg Med Chem 28: (2020)	Mizoram University	2D 3D TSV
32008882	38	Design, synthesis and biological evaluation of novel carbamates as potential inhibitors of acetylcholinesterase and butyrylcholinesterase.	Bioorg Med Chem 28: (2020)	Jinan University	2D 3D TSV
32007388	109	New thiopyrimidine-benzenesulfonamide conjugates as selective carbonic anhydrase II inhibitors: synthesis, in vitro biological evaluation, and molecular docking studies.	Bioorg Med Chem 28: (2020)	National Research Centre	2D 3D TSV
32005415	81	A novel series of cysteine-dependent, allosteric inverse agonists of the nuclear receptor ROR?t.	Bioorg Med Chem Lett 30: (2020)	Reata Pharmaceuticals, Inc.	2D 3D TSV
32003991	36	Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.	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.	J Med Chem 63: 2986-3003 (2020)	Icahn School of Medicine at Mount Sinai	2D 3D TSV
32001136	52	Discovery of thieno[2,3-d]pyrimidin-4(3H)-one derivatives as a new class of ROCK inhibitors.	Bioorg Med Chem Lett 30: (2020)	Sichuan University	2D 3D TSV
32001135	24	Optimization of 8-oxoadenines with toll-like-receptor 7 and 8 activity.	Bioorg Med Chem Lett 30: (2020)	University of Montana	2D 3D TSV
32001090	8	Synthesis and evaluation of novel radioiodinated PSMA targeting ligands for potential radiotherapy of prostate cancer.	Bioorg Med Chem 28: (2020)	Beijing Normal University	2D 3D TSV
32001089	8	Hi-JAK-ing the ubiquitin system: The design and physicochemical optimisation of JAK PROTACs.	Bioorg Med Chem 28: (2020)	University of Strathclyde	2D 3D TSV

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