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PMID	Data	Article Title	Citation	Organization	Data Download
31999923	16	Insights into Protein-Ligand Interactions in Integrin Complexes: Advances in Structure Determinations.	J Med Chem 63: 5675-5696 (2020)	Pliant Therapeutics	2D 3D TSV
31999455	5	Congenetic Hybrids Derived from Dearomatized Isoprenylated Acylphloroglucinol with Opposite Effects on Ca	J Med Chem 63: 1709-1716 (2020)	Chinese Academy of Sciences	2D 3D TSV
31999451	63	Bifunctional Naphthoquinone Aromatic Amide-Oxime Derivatives Exert Combined Immunotherapeutic and Antitumor Effects through Simultaneous Targeting of Indoleamine-2,3-dioxygenase and Signal Transducer and Activator of Transcription 3.	J Med Chem 63: 1544-1563 (2020)	Guangxi Normal University	2D 3D TSV
31992477	3	VEGFR-2 inhibiting effect and molecular modeling of newly synthesized coumarin derivatives as anti-breast cancer agents.	Bioorg Med Chem 28: (2020)	National Research Centre	2D 3D TSV
31992476	2	A panoramic review of IL-6: Structure, pathophysiological roles and inhibitors.	Bioorg Med Chem 28: (2020)	Punjabi University	2D 3D TSV
31990540	25	Synthesis of Novel Potent Archazolids: Pharmacology of an Emerging Class of Anticancer Drugs.	J Med Chem 63: 1684-1698 (2020)	Universit£t Bonn	2D 3D TSV
31990537	59	Identification of Reversible Small Molecule Inhibitors of Endothelial Lipase (EL) That Demonstrate HDL-C Increase In Vivo.	J Med Chem 63: 1660-1670 (2020)	TBA	2D 3D TSV
31987694	40	Optimisation of estrogen receptor subtype-selectivity of a 4-Aryl-4H-chromene scaffold previously identified by virtual screening.	Bioorg Med Chem 28: (2020)	Trinity College	2D 3D TSV
31986036	89	Structure and Activity Studies of Disulfide-Deficient Analogues of ?O-Conotoxin GeXIVA.	J Med Chem 63: 1564-1575 (2020)	Hainan University	2D 3D TSV
31986033	56	Aromatic-Amine Pendants Produce Highly Potent and Efficacious Mixed Efficacy ?-Opioid Receptor (MOR)/?-Opioid Receptor (DOR) Peptidomimetics with Enhanced Metabolic Stability.	J Med Chem 63: 1671-1683 (2020)	University of Michigan	2D 3D TSV
31982240	22	Substituted pteridinones as p90 ribosomal S6 protein kinase (RSK) inhibitors: A structure-activity study.	Bioorg Med Chem 28: (2020)	University of Colorado Anschutz Medical Campus	2D 3D TSV
31982234	25	Discovery of LY3325656: A GPR142 agonist suitable for clinical testing in human.	Bioorg Med Chem Lett 30: (2020)	Lilly China Research and Development Center (LCRDC)	2D 3D TSV
31980362	15	Phosphine boranes as less hydrophobic building blocks than alkanes and silanes: Structure-property relationship and estrogen-receptor-modulating potency of 4-phosphinophenol derivatives.	Bioorg Med Chem 28: (2020)	the University of Tokyo	2D 3D TSV
31980341	31	Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.	Bioorg Med Chem Lett 30: (2020)	Takeda Pharmaceutical Company Limited	2D 3D TSV
31980339	27	Inhibitors of the Zika virus protease NS2B-NS3.	Bioorg Med Chem Lett 30: (2020)	Australian National University	2D 3D TSV
31977209	3	Nostotrebin 6 Related Cyclopentenediones and ?-Lactones with Broad Activity Spectrum Isolated from the Cultivation Medium of the Cyanobacterium	J Nat Prod 83: 392-400 (2020)	University of Halle-Wittenberg	2D 3D TSV
31975579	9	Chrysosporazines F-M: P-Glycoprotein Inhibitory Phenylpropanoid Piperazines from an Australian Marine Fish Derived Fungus,	J Nat Prod 83: 497-504 (2020)	The University of Queensland	2D 3D TSV
31972093	84	1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors.	J Med Chem 63: 2470-2488 (2020)	Sapienza University of Rome	2D 3D TSV
31972088	4	Benzenesulfonamide Derivatives as Calcium/Calmodulin-Dependent Protein Kinase Inhibitors and Antiviral Agents against Dengue and Zika Virus Infections.	J Med Chem 63: 1313-1327 (2020)	National Taiwan Normal University	2D 3D TSV
31971801	39	?-Helix-Mimicking Sulfono-?-AApeptide Inhibitors for p53-MDM2/MDMX Protein-Protein Interactions.	J Med Chem 63: 975-986 (2020)	University of South Florida	2D 3D TSV
31971799	74	Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.	J Med Chem 63: 2489-2510 (2020)	National Institute of Chemistry	2D 3D TSV
31971798	40	Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.	J Med Chem 63: 1612-1623 (2020)	FORMA Therapeutics, Inc.	2D 3D TSV
31967465	36	Isocadiolides A-H: Polybrominated Aromatics from a	J Nat Prod 83: 429-437 (2020)	Seoul National University	2D 3D TSV
31965799	14	Clobetasol Propionate Is a Heme-Mediated Selective Inhibitor of Human Cytochrome P450 3A5.	J Med Chem 63: 1415-1433 (2020)	St. Jude Children's Research Hospital	2D 3D TSV
31961685	23	Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.	J Med Chem 63: 1642-1659 (2020)	National Health Research Institutes	2D 3D TSV
31961676	18	Kinase-Inhibitory Nucleoside Derivatives from the Pacific Bryozoan	J Nat Prod 83: 547-551 (2020)	Victoria University of Wellington	2D 3D TSV
31959420	29	Design and synthesis of (E)-1,2-diphenylethene-based EZH2 inhibitors.	Bioorg Med Chem Lett 30: (2020)	Sichuan University and Collaborative Innovation Center	2D 3D TSV
31955578	37	Discovery of a Brain-Penetrant ATP-Competitive Inhibitor of the Mechanistic Target of Rapamycin (mTOR) for CNS Disorders.	J Med Chem 63: 1068-1083 (2020)	Novartis Institutes for BioMedical Research	2D 3D TSV
31952965	2	Synthesis and biological evaluation of FICZ analogues as agonists of aryl hydrocarbon receptor.	Bioorg Med Chem Lett 30: (2020)	University of Wisconsin-Madison	2D 3D TSV
31952964	41	Discovery of a novel unsymmetrical structural class of HCV NS5A inhibitors with low picomolar antiviral activity.	Bioorg Med Chem Lett 30: (2020)	Japan Tobacco Inc.	2D 3D TSV
31952962	1	Synthesis and biological evaluation of bis-N	Bioorg Med Chem Lett 30: (2020)	Rhodes University	2D 3D TSV
31952961	34	Potent non-hydroxamate inhibitors of histone deacetylase-8: Role and scope of an isoindolin-2-yl linker with an ?-amino amide as the zinc-binding unit.	Bioorg Med Chem Lett 30: (2020)	University College London	2D 3D TSV
31952960	234	Discovery of a lead series of potent benzodiazepine 5-HT	Bioorg Med Chem Lett 30: (2020)	Arena Pharmaceuticals	2D 3D TSV
31951130	107	Discovery and Structure-Activity Relationships of Nociceptin Receptor Partial Agonists That Afford Symptom Ablation in Parkinson's Disease Models.	J Med Chem 63: 2688-2704 (2020)	Astraea Therapeutics	2D 3D TSV
31948845	126	Identification of potent pyrazole based APELIN receptor (APJ) agonists.	Bioorg Med Chem 28: (2020)	RTI International	2D 3D TSV
31944697	42	Discovery of Potent, Selective, and Direct Acid Sphingomyelinase Inhibitors with Antidepressant Activity.	J Med Chem 63: 961-974 (2020)	China Pharmaceutical University	2D 3D TSV
31944695	23	Stilbenes with Potent Protein Tyrosine Phosphatase-1B Inhibitory Activity from the Roots of	J Nat Prod 83: 323-332 (2020)	Kyungpook National University	2D 3D TSV
31940200	62	Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis.	J Med Chem 63: 3868-3880 (2020)	Genomics Institute of the Novartis Research Foundation (GNF)	2D 3D TSV
31938464	93	Class I/IIb-Selective HDAC Inhibitor Exhibits Oral Bioavailability and Therapeutic Efficacy in Acute Myeloid Leukemia.	ACS Med Chem Lett 11: 56-64 (2020)	University of Toronto Mississauga	2D 3D TSV
31938461	20	Nicotinamide Phosphoribosyltransferase (NAMPT) Is a New Target of Antitumor Agent Chidamide.	ACS Med Chem Lett 11: 40-44 (2020)	Second Military Medical University	2D 3D TSV
31938460	87	Epimers Switch Galectin-9 Domain Selectivity: 3	ACS Med Chem Lett 11: 34-39 (2020)	Lund University	2D 3D TSV
31938459	18	Discovery of VU6015929: A Selective Discoidin Domain Receptor 1/2 (DDR1/2) Inhibitor to Explore the Role of DDR1 in Antifibrotic Therapy.	ACS Med Chem Lett 11: 29-33 (2020)	Vanderbilt University	2D 3D TSV
31938457	40	Fluorescence Labeling of Neurotensin(8-13) via Arginine Residues Gives Molecular Tools with High Receptor Affinity.	ACS Med Chem Lett 11: 16-22 (2020)	University of Regensburg	2D 3D TSV
31938453	10	Novel Pyrazolyl-dihydroisoquinolines as Positive Allosteric Modulator of the Dopamine D1 Receptor.	ACS Med Chem Lett 11: (2020)	Arrival Discovery LLC	2D 3D TSV
31938452	18	Novel Methyl-aza-quinazolines as Inhibitors of the RAS-SOS Interaction.	ACS Med Chem Lett 11: 2-3 (2020)	Arrival Discovery LLC	2D 3D TSV
31935327	17	Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.	J Med Chem 63: 1298-1312 (2020)	Shandong University	2D 3D TSV
31935086	19	Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90 (Hsp90) and Cell Division Cycle 37 as Orally Active Inhibitors for the Treatment of Colorectal Cancer.	J Med Chem 63: 1281-1297 (2020)	China Pharmaceutical University	2D 3D TSV
31935084	55	Structure-Based Design of a Potent and Selective Covalent Inhibitor for SRC Kinase That Targets a P-Loop Cysteine.	J Med Chem 63: 1624-1641 (2020)	Harvard Medical School	2D 3D TSV
31934767	42	Novel Class of Colony-Stimulating Factor 1 Receptor Kinase Inhibitors Based on an	J Med Chem 63: 1397-1414 (2020)	Chinese Academy of Sciences	2D 3D TSV
31933369	18	1-(2'-Bromobenzyl)-6,7-dihydroxy-	J Nat Prod 83: 127-133 (2020)	Universidad de Santiago de Compostela	2D 3D TSV
31932225	74	Identification of novel GPR81 agonist lead series for target biology evaluation.	Bioorg Med Chem Lett 30: (2020)	AstraZeneca	2D 3D TSV
31932224	25	Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.	Bioorg Med Chem Lett 30: (2020)	Bristol-Myers Squibb Company	2D 3D TSV
31932193	5	Suitable fusion of N-terminal heptad repeats to achieve covalently stabilized potent N-peptide inhibitors of HIV-1 infection.	Bioorg Med Chem 28: (2020)	Nankai University	2D 3D TSV
31930920	69	The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease.	J Med Chem 63: 5031-5073 (2020)	Terns Pharmaceuticals	2D 3D TSV
31928839	37	Benzopyrimidodiazepinone inhibitors of TNK2.	Bioorg Med Chem Lett 30: (2020)	Harvard Medical School	2D 3D TSV
31928006	15	A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.	J Med Chem 63: 987-1001 (2020)	Dalian University of Technology	2D 3D TSV
31926785	6	Emerging small-molecule therapeutic approaches for amyotrophic lateral sclerosis and frontotemporal dementia.	Bioorg Med Chem Lett 30: (2020)	AstraZeneca	2D 3D TSV
31924504	20	Synthesis and biological evaluation of 2-quinolineacrylamides.	Bioorg Med Chem 28: (2020)	Kaohsiung Medical University	2D 3D TSV
31924496	7	Spirobiflavonoid stereoisomers from the endangered conifer Glyptostrobus pensilis and their protein tyrosine phosphatase 1B inhibitory activity.	Bioorg Med Chem Lett 30: (2020)	Fudan University	2D 3D TSV
31924495	22	Development of novel NLRP3-XOD dual inhibitors for the treatment of gout.	Bioorg Med Chem Lett 30: (2020)	Soochow University	2D 3D TSV
31922756	106	Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery.	J Med Chem 63: 1156-1177 (2020)	University of Copenhagen	2D 3D TSV
31918952	65	Impact of the structure-activity relationship of AHL analogues on quorum sensing in Gram-negative bacteria.	Bioorg Med Chem 28: (2020)	Larkin University	2D 3D TSV
31917923	91	Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.	J Med Chem 63: 1361-1387 (2020)	University of Ljubljana	2D 3D TSV
31913038	13	Preventing Morphine-Seeking Behavior through the Re-Engineering of Vincamine's Biological Activity.	J Med Chem 63: 5119-5138 (2020)	University of Florida	2D 3D TSV
31913033	12	Fragment-to-Lead Medicinal Chemistry Publications in 2018.	J Med Chem 63: 4430-4444 (2020)	Frontier Medicines	2D 3D TSV
31913032	86	Plasmepsin Inhibitors in Antimalarial Drug Discovery: Medicinal Chemistry and Target Validation (2000 to Present).	J Med Chem 63: 4445-4467 (2020)	University of Zambia	2D 3D TSV
31910018	2	Development of Novel	J Med Chem 63: 1051-1067 (2020)	East China University of Science and Technology	2D 3D TSV
31910017	43	Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.	J Med Chem 63: 1337-1360 (2020)	Chinese Academy of Sciences	2D 3D TSV
31910011	120	Potent Thiophene Antagonists of Human Complement C3a Receptor with Anti-Inflammatory Activity.	J Med Chem 63: 529-541 (2020)	TBA	2D 3D TSV
31910010	134	Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.	J Med Chem 63: 621-637 (2020)	A*STAR	2D 3D TSV
31904960	8	Synthesis and Structure-Activity Relationship Studies of C2-Modified Analogs of the Antimycobacterial Natural Product Pyridomycin.	J Med Chem 63: 1105-1131 (2020)	ETH Zurich	2D 3D TSV
31904959	45	Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.	J Med Chem 63: 714-746 (2020)	GSK	2D 3D TSV
31902650	2	Luciferase-based HMG-CoA reductase degradation assay for activity and selectivity profiling of oxy(lano)sterols.	Bioorg Med Chem 28: (2020)	The University of Tokyo	2D 3D TSV
31901382	10	Design, synthesis and anti-Alzheimer's disease activity study of xanthone derivatives based on multi-target strategy.	Bioorg Med Chem Lett 30: (2020)	Tianjin University of Traditional Chinese Medicine	2D 3D TSV
31901380	8	Selective acetylcholinesterase inhibitors derived from muscle relaxant dantrolene.	Bioorg Med Chem Lett 30: (2020)	Tokyo University of Pharmacy and Life Sciences	2D 3D TSV
31898999	42	Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.	Bioorg Med Chem Lett 30: (2020)	Biogen	2D 3D TSV
31898998	10	Design and biological evaluation of tetrahydropyridine derivatives as novel human GPR119 agonists.	Bioorg Med Chem Lett 30: (2020)	Sichuan University	2D 3D TSV
31898904	5	?-Glucosidase and Protein Tyrosine Phosphatase 1B Inhibitors from	J Nat Prod 83: 675-683 (2020)	University of North Carolina Greensboro	2D 3D TSV
31895575	37	Synthesis and Biological Evaluation of B-Cell Lymphoma 6 Inhibitors of	J Med Chem 63: 676-695 (2020)	East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine	2D 3D TSV
31895569	5	Discovery of Potent and Selective Epidermal Growth Factor Receptor (EGFR) Bifunctional Small-Molecule Degraders.	J Med Chem 63: 1216-1232 (2020)	Icahn School of Medicine at Mount Sinai	2D 3D TSV
31895563	29	Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity.	J Med Chem 63: 1178-1198 (2020)	Virginia Tech	2D 3D TSV
31895562	76	Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-	J Med Chem 63: 1084-1104 (2020)	Takeda Pharmaceutical Company, Ltd.	2D 3D TSV
31894985	6	Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs.	J Med Chem 63: 1002-1031 (2020)	University of Southampton	2D 3D TSV
31891265	10	Isolation of a High-Affinity Cannabinoid for the Human CB1 Receptor from a Medicinal	J Nat Prod 83: 88-98 (2020)	University of Modena and Reggio Emilia	2D 3D TSV
31889666	94	Evaluation of anti-depressant effects of phthalazinone-based triple-acting small molecules against 5-HT	Bioorg Med Chem Lett 30: (2020)	Korea Institute of Science and Technology	2D 3D TSV
31889664	20	Addressing hERG activity while maintaining favorable potency, selectivity and pharmacokinetic properties of PPAR? modulators.	Bioorg Med Chem Lett 30: (2020)	Mitobridge, Inc.	2D 3D TSV
31889606	10	Synthesis and cytotoxic evaluation of halogenated ?-exo-methylene-lactones.	Bioorg Med Chem 28: (2020)	Jinan University	2D 3D TSV
31882369	80	Synthesis of novel 5-substituted-2-aminotetralin analogs: 5-HT	Bioorg Med Chem 28: (2020)	Northeastern University	2D 3D TSV
31882299	34	Discovery of 5-(pyridin-3-yl)-1H-indole-4,7-diones as indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.	Bioorg Med Chem Lett 30: (2020)	Fudan University	2D 3D TSV
31882297	129	Discovery of small molecule antagonists of chemokine receptor CXCR6 that arrest tumor growth in SK-HEP-1 mouse xenografts as a model of hepatocellular carcinoma.	Bioorg Med Chem Lett 30: (2020)	Sanford Burnham Prebys Medical Discovery Institute	2D 3D TSV
31882295	63	Synthesis and biological evaluation of 4-arylcoumarins as potential anti-Alzheimer's disease agents.	Bioorg Med Chem Lett 30: (2020)	University of Jinan-Shandong Academy of Medical Sciences	2D 3D TSV
31880942	1	Scaffold Hopping of Natural Product Evodiamine: Discovery of a Novel Antitumor Scaffold with Excellent Potency against Colon Cancer.	J Med Chem 63: 696-713 (2020)	Second Military Medical University	2D 3D TSV
31879210	2	Design, synthesis and biological evaluation of Proteolysis Targeting Chimeras (PROTACs) as a BTK degraders with improved pharmacokinetic properties.	Bioorg Med Chem Lett 30: (2020)	Yale University	2D 3D TSV
31879209	6	Identification of human lactate dehydrogenase A inhibitors with anti-osteosarcoma activity through cell-based phenotypic screening.	Bioorg Med Chem Lett 30: (2020)	Jilin University China-Japan Union Hospital	2D 3D TSV
31879208	10	Essential structure of orexin 1 receptor antagonist YNT-707, part V: Structure-activity relationship study of the substituents on the 17-amino group.	Bioorg Med Chem Lett 30: (2020)	University of Tsukuba	2D 3D TSV
31879206	9	Variegatic acid from the edible mushroom Tylopilus ballouii inhibits TNF-? production and PKC?1 activity in leukemia cells.	Bioorg Med Chem Lett 30: (2020)	Tokyo University of Agriculture	2D 3D TSV
31879183	15	Recent advances in the discovery and development of glyoxalase I inhibitors.	Bioorg Med Chem 28: (2020)	Chengdu University	2D 3D TSV
31879182	28	Bisphenol AF: Halogen bonding effect is a major driving force for the dual ER?-agonist and ER?-antagonist activities.	Bioorg Med Chem 28: (2020)	Kyushu University	2D 3D TSV
31879180	5	Structural insights into the active site of poly(ADP-ribose) glycohydrolase using docking modes of 6-hydroxy-3H-xanthen-3-one derivative inhibitors.	Bioorg Med Chem 28: (2020)	Tokyo University of Science	2D 3D TSV
31874828	2	Design, synthesis and evaluation of protein disulfide isomerase inhibitors with nitric oxide releasing activity.	Bioorg Med Chem Lett 30: (2020)	Northwestern Polytechnical University (NPU)	2D 3D TSV
31874826	3	Discovery of a follistatin-derived myostatin inhibitory peptide.	Bioorg Med Chem Lett 30: (2020)	Tokyo University of Pharmacy and Life Sciences	2D 3D TSV
31874775	176	Virtual screening identification and chemical optimization of substituted 2-arylbenzimidazoles as new non-zinc-binding MMP-2 inhibitors.	Bioorg Med Chem 28: (2020)	"A. Moro" University of Bari	2D 3D TSV
31870649	34	Imidazolidine-2,4,5- and pirimidine-2,4,6-triones - New primary pharmacophore for soluble epoxide hydrolase inhibitors with enhanced water solubility.	Bioorg Med Chem Lett 30: (2020)	University of California Davis	2D 3D TSV
31866272	17	Synthesis and biological activity of thieno[3,2-d]pyrimidines as potent JAK3 inhibitors for the treatment of idiopathic pulmonary fibrosis.	Bioorg Med Chem 28: (2020)	Dalian Medical University	2D 3D TSV
31864800	36	Synthesis and immunostimulatory activity of sugar-conjugated TLR7 ligands.	Bioorg Med Chem Lett 30: (2020)	Kagoshima University	2D 3D TSV
31864799	55	Discovery of indane propanamides as potent and selective TRPV1 antagonists.	Bioorg Med Chem Lett 30: (2020)	Seoul National University	2D 3D TSV
31864798	42	Propargylamine-derived multi-target directed ligands for Alzheimer's disease therapy.	Bioorg Med Chem Lett 30: (2020)	Universidade de Lisboa	2D 3D TSV
31864778	35	Synthesis of novel 2-pyrrolidinone and pyrrolidine derivatives and study of their inhibitory activity against autotaxin enzyme.	Bioorg Med Chem 28: (2020)	National and Kapodistrian University of Athens	2D 3D TSV
31862412	60	Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors.	Bioorg Med Chem Lett 30: (2020)	University College London	2D 3D TSV
31862411	12	Discovery of novel 2,4-disubstituted pyrimidines as Aurora kinase inhibitors.	Bioorg Med Chem Lett 30: (2020)	Lanzhou University	2D 3D TSV
31862310	57	Heteroarylamide smoothened inhibitors: Discovery of N-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(2-pyridylmethoxy)benzamide (AZD8542) and N-[5-(1H-imidazol-2-yl)-2,4-dimethyl-phenyl]-4-(2- pyridylmethoxy)benzamide (AZD7254).	Bioorg Med Chem 28: (2020)	AstraZeneca	2D 3D TSV
31860309	58	Structure-Activity Relationship in Pyrazolo[4,3-	J Med Chem 63: 847-879 (2020)	Technische Universit£t M£nchen	2D 3D TSV
31860303	8	Phloroglucinol Benzophenones and Xanthones from the Leaves of	J Nat Prod 83: 164-168 (2020)	University of Wollongong	2D 3D TSV
31860301	24	Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.	J Med Chem 63: 1528-1543 (2020)	Sosei Heptares	2D 3D TSV
31860298	3	Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.	J Med Chem 63: 827-846 (2020)	University of Tennessee Health Science Center	2D 3D TSV
31859507	212	Discovery of BAY-985, a Highly Selective TBK1/IKK? Inhibitor.	J Med Chem 63: 601-612 (2020)	Bayer AG	2D 3D TSV
31859159	42	Synthesis and evaluation of 4-(1,3,4-oxadiazol-2-yl)-benzenesulfonamides as potent carbonic anhydrase inhibitors.	Bioorg Med Chem Lett 30: (2020)	Northwest A&F University	2D 3D TSV
31859158	46	Synthesis and biological evaluation of Isosteviol derivatives as FXa inhibitors.	Bioorg Med Chem Lett 30: (2020)	Peking University	2D 3D TSV
31859156	51	Synthesis and biological evaluation of Vinpocetine derivatives.	Bioorg Med Chem Lett 30: (2020)	Peking University	2D 3D TSV
31858797	22	Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.	J Med Chem 63: 656-675 (2020)	Frederick National Laboratory for Cancer Research	2D 3D TSV
31857846	29	Pharmacokinetics-Driven Optimization of 7-Methylimidazo[1,5-	ACS Med Chem Lett 10: 1680-1685 (2019)	China Pharmaceutical University	2D 3D TSV
31857844	1	Discovery of Novel Neuraminidase Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay.	ACS Med Chem Lett 10: 1667-1673 (2019)	Shanghai Institute of Technology	2D 3D TSV
31857843	14	Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.	ACS Med Chem Lett 10: 1661-1666 (2019)	Goethe-University Frankfurt	2D 3D TSV
31857842	12	New Potent DOT1L Inhibitors for	ACS Med Chem Lett 10: 1655-1660 (2019)	Novartis Institutes for Biomedical Research	2D 3D TSV
31857841	24	Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.	ACS Med Chem Lett 10: 1648-1654 (2019)	University of Minnesota	2D 3D TSV
31857840	92	Discovery of Axelopran (TD-1211): A Peripherally Restricted ?-Opioid Receptor Antagonist.	ACS Med Chem Lett 10: 1641-1647 (2019)	Theravance Biopharma US, Inc.	2D 3D TSV
31857839	28	Tetrazole as a Replacement of the Electrophilic Group in Characteristic Prolyl Oligopeptidase Inhibitors.	ACS Med Chem Lett 10: 1635-1640 (2019)	University of Helsinki	2D 3D TSV
31857838	68	Structure-Based Design of Selective, Covalent G Protein-Coupled Receptor Kinase 5 Inhibitors.	ACS Med Chem Lett 10: 1628-1634 (2019)	University of Michigan	2D 3D TSV
31857835	3	In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.	ACS Med Chem Lett 10: 1609-1613 (2019)	Xiamen University	2D 3D TSV
31857832	51	Modulation of Tropomyosin Receptor Kinase for the Treatment of Neurotrophin Diseases: Alzheimer's, Huntington's and Parkinson's.	ACS Med Chem Lett 10: 1590-1591 (2019)	Usona Institute	2D 3D TSV
31855793	72	Identification of new potent A	Eur J Med Chem 187: (2020)	Nankai University	2D 3D TSV
31855601	73	Synthesis and in Vitro and in Vivo Biological Evaluation of Tissue-Specific Bisthiazole Histone Deacetylase (HDAC) Inhibitors.	J Med Chem 63: 804-815 (2020)	Chinese Academy of Sciences	2D 3D TSV
31855426	98	Discovery and Characterization of 1	J Med Chem 63: 569-590 (2020)	East China Normal University	2D 3D TSV
31855425	224	Optimization of Orally Bioavailable PI3K? Inhibitors and Identification of Vps34 as a Key Selectivity Target.	J Med Chem 63: 638-655 (2020)	GlaxoSmithKline	2D 3D TSV
31855419	63	Binding Loop Substitutions in the Cyclic Peptide SFTI-1 Generate Potent and Selective Chymase Inhibitors.	J Med Chem 63: 816-826 (2020)	The University of Queensland	2D 3D TSV
31851518	61	The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-	J Med Chem 63: 3461-3471 (2020)	AstraZeneca	2D 3D TSV
31850759	24	Engineering a Potent, Long-Acting, and Periphery-Restricted Oxytocin Receptor Agonist with Anorexigenic and Body Weight Reducing Effects.	J Med Chem 63: 382-390 (2020)	Calibr at The Scripps Research Institute	2D 3D TSV
31846829	32	Discovery of 4,6-pyrimidinediamine derivatives as novel dual EGFR/FGFR inhibitors aimed EGFR/FGFR1-positive NSCLC.	Eur J Med Chem 187: (2020)	Wenzhou Medical University	2D 3D TSV
31846828	2	Development of selective mono or dual PROTAC degrader probe of CDK isoforms.	Eur J Med Chem 187: (2020)	Sichuan University and Collaborative Innovation Center of Biotherapy	2D 3D TSV
31846577	34	Selectivity and Physicochemical Optimization of Repurposed Pyrazolo[1,5-	J Med Chem 63: 756-783 (2020)	Northeastern University	2D 3D TSV
31846328	8	Docking Finds GPCR Ligands in Dark Chemical Matter.	J Med Chem 63: 613-620 (2020)	Uppsala University	2D 3D TSV
31846325	46	Discovery of Novel Dual Poly(ADP-ribose)polymerase and Phosphoinositide 3-Kinase Inhibitors as a Promising Strategy for Cancer Therapy.	J Med Chem 63: 122-139 (2020)	TBA	2D 3D TSV
31845801	78	Incorporation of Agouti-Related Protein (AgRP) Human Single Nucleotide Polymorphisms (SNPs) in the AgRP-Derived Macrocyclic Scaffold c[Pro-Arg-Phe-Phe-Asn-Ala-Phe-dPro] Decreases Melanocortin-4 Receptor Antagonist Potency and Results in the Discovery of Melanocortin-5 Receptor Antagonists.	J Med Chem 63: 2194-2208 (2020)	University of Minnesota	2D 3D TSV
31843464	5	Small molecules targeting HIF-1? pathway for cancer therapy in recent years.	Bioorg Med Chem 28: (2020)	Shandong University	2D 3D TSV
31843462	47	Modification of the lead molecule: Tryptophan and piperidine appended triazines reversing inflammation and hyeperalgesia in rats.	Bioorg Med Chem 28: (2020)	Guru Nanak Dev University	2D 3D TSV
31843460	68	Thiophene bioisosteres of GluN2B selective NMDA receptor antagonists: Synthesis and pharmacological evaluation of [7]annuleno[b]thiophen-6-amines.	Bioorg Med Chem 28: (2020)	Westf£lische Wilhelms-Universit£t M£nster	2D 3D TSV
31843459	57	Design and synthesis of boron-containing diphenylpyrimidines as potent BTK and JAK3 dual inhibitors.	Bioorg Med Chem 28: (2020)	Chia Tai Tianqing Pharmaceutical Group Co., Ltd	2D 3D TSV
31841728	7	Identification of 6'-?-fluoro-homoaristeromycin as a potent inhibitor of chikungunya virus replication.	Eur J Med Chem 187: (2020)	Seoul National University	2D 3D TSV
31841727	4	Prodrugs for nitroreductase-based cancer therapy-3: Antitumor activity of the novel dinitroaniline prodrugs/Ssap-NtrB enzyme suicide gene system: Synthesis, in vitro and in silico evaluation in prostate cancer.	Eur J Med Chem 187: (2020)	Balikesir University	2D 3D TSV
31841637	112	Structure-Activity Relationships of Novel Thiazole-Based Modafinil Analogues Acting at Monoamine Transporters.	J Med Chem 63: 391-417 (2020)	University of Vienna	2D 3D TSV
31841625	11	Heterotrimeric G Proteins as Therapeutic Targets in Drug Discovery.	J Med Chem 63: 5013-5030 (2020)	Sun Yat-sen University	2D 3D TSV
31841350	70	Discovery of Selective Inhibitors of Endoplasmic Reticulum Aminopeptidase 1.	J Med Chem 63: 103-121 (2020)	Kansas University Specialized Chemistry Center	2D 3D TSV
31841335	16	Discovery of	J Med Chem 63: 425-432 (2020)	Christian-Albrechts-University Kiel	2D 3D TSV
31839539	60	Discovery of 2-((4-resorcinolyl)-5-aryl-1,2,3-triazol-1-yl)acetates as potent Hsp90 inhibitors with selectivity over TRAP1.	Bioorg Med Chem Lett 30: (2020)	Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)	2D 3D TSV
31838846	8	Selective Blockade of Neuronal BK (? + ?4) Channels Preventing Epileptic Seizure.	J Med Chem 63: 216-230 (2020)	Chinese Academy of Sciences	2D 3D TSV
31838329	48	Protective effects of 10,11-dihydro-5H-dibenzo[b,f]azepine hydroxamates on vascular cognitive impairment.	Eur J Med Chem 187: (2020)	Taipei Medical University	2D 3D TSV
31836443	11	Discovery of novel pyrrolo[2,3-b]pyridine derivatives bearing 4-oxoquinoline moiety as potential antitumor inhibitor.	Bioorg Med Chem Lett 30: (2020)	Shanghai Institute of Technology	2D 3D TSV
31836442	6	Licochalcone A suppresses the proliferation of sarcoma HT-1080 cells, as a selective R132C mutant IDH1 inhibitor.	Bioorg Med Chem Lett 30: (2020)	Guizhou Medcial University	2D 3D TSV
31835169	68	Discovery of novel 1,2,3-triazole oseltamivir derivatives as potent influenza neuraminidase inhibitors targeting the 430-cavity.	Eur J Med Chem 187: (2020)	Shandong University	2D 3D TSV
31835168	195	Therapeutic significance of ?-glucuronidase activity and its inhibitors: A review.	Eur J Med Chem 187: (2020)	University of KwaZulu-Natal	2D 3D TSV
31834798	33	Potent, Efficacious, and Stable Cyclic Opioid Peptides with Long Lasting Antinociceptive Effect after Peripheral Administration.	J Med Chem 63: 2673-2687 (2020)	Universit£ di Chieti-Pescara "G. d'Annunzio"	2D 3D TSV
31834797	31	Investigation of the Adrenergic and Opioid Binding Affinities, Metabolic Stability, Plasma Protein Binding Properties, and Functional Effects of Selected Indole-Based Kratom Alkaloids.	J Med Chem 63: 433-439 (2020)	University of Florida	2D 3D TSV
31833761	32	Potent, Orally Bioavailable, and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.	J Med Chem 63: 784-803 (2020)	Bristol-Myers Squibb Company	2D 3D TSV
31831383	2	Synthesis and biological evaluation of novel pyrazolo[1,5-a]pyrimidines: Discovery of a selective inhibitor of JAK1 JH2 pseudokinase and VPS34.	Bioorg Med Chem Lett 30: (2020)	Brigham Young University	2D 3D TSV
31831297	18	Identification of novel inhibitors for the tyrosyl-DNA-phosphodiesterase 1 (Tdp1) mutant SCAN1 using virtual screening.	Bioorg Med Chem 28: (2020)	Siberian Branch of Russian Academy of Sciences	2D 3D TSV
31831296	20	Tetrahydroquinoline units in flexible heteroarotinoids (Flex-Hets) convey anti-cancer properties in A2780 ovarian cancer cells.	Bioorg Med Chem 28: (2020)	Oklahoma State University	2D 3D TSV
31830635	74	Design, synthesis and structure-activity relationship of indolylindazoles as potent and selective covalent inhibitors of interleukin-2 inducible T-cell kinase (ITK).	Eur J Med Chem 187: (2020)	Peking University	2D 3D TSV
31830634	126	Synthesis and structure-activity relationship studies of ?-naphthoflavone derivatives as CYP1B1 inhibitors.	Eur J Med Chem 187: (2020)	Shanghai Jiao Tong University	2D 3D TSV
31825616	25	Benzothiazole-Based LRRK2 Inhibitors as Wnt Enhancers and Promoters of Oligodendrocytic Fate.	J Med Chem 63: 2638-2655 (2020)	CSIC	2D 3D TSV
31821760	53	Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor ?t (ROR?t) Inverse Agonists.	J Med Chem 63: 241-259 (2020)	Technische Universiteit Eindhoven	2D 3D TSV
31820985	101	Design, Synthesis, and Biological Evaluation of Amidobenzimidazole Derivatives as Stimulator of Interferon Genes (STING) Receptor Agonists.	J Med Chem 63: 260-282 (2020)	Peking Union Medical College and Chinese Academy of Medical Sciences	2D 3D TSV
31820982	34	Kinetic Target-Guided Synthesis: Reaching the Age of Maturity.	J Med Chem 63: 3817-3833 (2020)	Univ. Lille	2D 3D TSV
31820981	62	Discovery of a Covalent Inhibitor of KRAS	J Med Chem 63: 52-65 (2020)	TBA	2D 3D TSV
31820978	38	Targeting Stimulator of Interferon Genes (STING): A Medicinal Chemistry Perspective.	J Med Chem 63: 3785-3816 (2020)	China Pharmaceutical University	2D 3D TSV
31820975	19	Development of Novel Oxotriazinoindole Inhibitors of Aldose Reductase: Isosteric Sulfur/Oxygen Replacement in the Thioxotriazinoindole Cemtirestat Markedly Improved Inhibition Selectivity.	J Med Chem 63: 369-381 (2020)	Comenius University in Bratislava	2D 3D TSV
31818631	13	Exploring structure-promiscuity relationships using dual-site promiscuity cliffs and corresponding single-site analogs.	Bioorg Med Chem 28: (2020)	Rheinische Friedrich-Wilhelms-Universit£t	2D 3D TSV
31818630	41	Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.	Bioorg Med Chem 28: (2020)	Array BioPharma Inc.	2D 3D TSV
31818629	2	Identification of small-molecule urea derivatives as novel NAMPT inhibitors via pharmacophore-based virtual screening.	Bioorg Med Chem 28: (2020)	Gazi University	2D 3D TSV
31816557	8	Discovery of coumarin-based selective aldehyde dehydrogenase 1A1 inhibitors with glucose metabolism improving activity.	Eur J Med Chem 187: (2020)	China Pharmaceutical University	2D 3D TSV
31815462	15	Synthesis and Pharmacological Characterization of Conformationally Restricted Retigabine Analogues as Novel Neuronal Kv7 Channel Activators.	J Med Chem 63: 163-185 (2020)	University Federico II of Naples	2D 3D TSV
31813613	20	Discovery of a new class of PROTAC BRD4 degraders based on a dihydroquinazolinone derivative and lenalidomide/pomalidomide.	Bioorg Med Chem 28: (2020)	China Pharmaceutical University	2D 3D TSV
31812794	16	1-Benzylpyrrolidine-3-amine-based BuChE inhibitors with anti-aggregating, antioxidant and metal-chelating properties as multifunctional agents against Alzheimer's disease.	Eur J Med Chem 187: (2020)	Jagiellonian University Medical College	2D 3D TSV
31812034	17	Synthesis and discovery of triazolo-pyridazine-6-yl-substituted piperazines as effective anti-diabetic drugs; evaluated over dipeptidyl peptidase-4 inhibition mechanism and insulinotropic activities.	Eur J Med Chem 187: (2020)	Government Arts College	2D 3D TSV
31812033	42	Synthesis of certain benzothieno[3,2-d]pyrimidine derivatives as a selective SIRT2 inhibitors.	Eur J Med Chem 187: (2020)	Cairo University	2D 3D TSV
31810890	40	Variations in the C-unit of bedaquiline provides analogues with improved biology and pharmacology.	Bioorg Med Chem 28: (2020)	University of Auckland	2D 3D TSV
31810777	18	Synthesis and evaluation of the HIF-1? inhibitory activity of 3(5)-substituted-4-(quinolin-4-yl)- and 4-(2-phenylpyridin-4-yl)pyrazoles as inhibitors of ALK5.	Bioorg Med Chem Lett 30: (2020)	Yanbian University	2D 3D TSV
31809045	2	Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.	J Med Chem 63: 349-368 (2020)	Instituto de Qu£mica M£dica (IQM-CSIC)	2D 3D TSV
31809044	38	Synthesis and PTP Inhibitory Activity of Illudalic Acid and Its Methyl Ether, with Insights into Selectivity for LAR PTP over Other Tyrosine Phosphatases under Physiologically Relevant Conditions.	J Nat Prod 82: 3386-3393 (2019)	University of Utah	2D 3D TSV
31806266	17	Selenium bioisosteric replacement of adenosine derivatives promoting adiponectin secretion increases the binding affinity to peroxisome proliferator-activated receptor ?.	Bioorg Med Chem 28: (2020)	Seoul National University	2D 3D TSV
31804829	21	Optimization of LpxC Inhibitor Lead Compounds Focusing on Efficacy and Formulation for High Dose Intravenous Administration.	J Med Chem 63: 88-102 (2020)	Idorsia Pharmaceuticals Ltd.	2D 3D TSV
31804823	10	Peptide-?-lactam Inhibitors of Dengue and West Nile Virus NS2B-NS3 Protease Display Two Distinct Binding Modes.	J Med Chem 63: 140-156 (2020)	Heidelberg University	2D 3D TSV
31804822	4	Design, Synthesis, and Biological Evaluation of MEK PROTACs.	J Med Chem 63: 157-162 (2020)	Pharmaron Beijing Company	2D 3D TSV
31804076	1	Synthesis and Characterization of an A6-A11 Methylene Thioacetal Human Insulin Analogue with Enhanced Stability.	J Med Chem 62: 11437-11443 (2019)	University of Utah	2D 3D TSV
31804070	1	Glucoconjugated Monoterpene Indole Alkaloids from	J Nat Prod 82: 3288-3301 (2019)	Peking University Health Science Center	2D 3D TSV
31801019	5	Novel Cell-Penetrating Peptide Conjugated Proteasome Inhibitors: Anticancer and Antifungal Investigations.	J Med Chem 63: 334-348 (2020)	University of Auckland	2D 3D TSV
31800244	18	A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands.	J Med Chem 63: 231-240 (2020)	Max Planck Institute of Psychiatry	2D 3D TSV
31799843	11	Polypropionate Derivatives with	J Nat Prod 82: 3440-3449 (2019)	Guangdong Institute of Microbiology	2D 3D TSV
31794211	138	"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.	J Med Chem 63: 321-333 (2020)	University of Florence	2D 3D TSV
31793776	7	Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.	J Med Chem 63: 295-308 (2020)	University of Pennsylvania	2D 3D TSV
31791817	12	Isolation of three new meroterpenoids and seven known compounds from Albatrellus yasudae and their A?-aggregation inhibitory activity.	Bioorg Med Chem Lett 30: (2020)	Meiji Pharmaceutical University	2D 3D TSV
31790581	23	A Novel Agonist of the Type 1 Lysophosphatidic Acid Receptor (LPA	J Med Chem 63: 2372-2390 (2020)	Universidad Complutense de Madrid	2D 3D TSV
31789520	48	Uncarialins A-I, Monoterpenoid Indole Alkaloids from	J Nat Prod 82: 3302-3310 (2019)	Dalian Medical University	2D 3D TSV
31789518	11	Urea Derivatives in Modern Drug Discovery and Medicinal Chemistry.	J Med Chem 63: 2751-2788 (2020)	Purdue University	2D 3D TSV
31789032	106	Discovery of Benzo[	J Med Chem 62: 11080-11107 (2019)	China Pharmaceutical University	2D 3D TSV
31787491	54	Discovery of structurally distinct tricyclic M	Bioorg Med Chem Lett 30: (2020)	Vanderbilt University	2D 3D TSV
31787463	67	Novel alkoxyamide-based histone deacetylase inhibitors reverse cisplatin resistance in chemoresistant cancer cells.	Bioorg Med Chem 28: (2020)	Heinrich-Heine-Universit£t D£sseldorf	2D 3D TSV
31787462	4	Pyrazolopyrimide library screening in glioma cells discovers highly potent antiproliferative leads that target the PI3K/mTOR pathway.	Bioorg Med Chem 28: (2020)	University of Edinburgh	2D 3D TSV
31786008	37	Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.	Bioorg Med Chem 28: (2020)	Eli Lilly and Company	2D 3D TSV
31784320	31	Discovery of a novel 2,3-dimethylimidazo[1,2-a]pyrazine-6-carboxamide M	Bioorg Med Chem Lett 30: (2020)	Vanderbilt University	2D 3D TSV
31784319	3	Design, synthesis, and enzymatic characterization of quinazoline-based CYP1A2 inhibitors.	Bioorg Med Chem Lett 30: (2020)	University of Florida	2D 3D TSV
31784318	13	Development and structure-activity relationship study of SHP2 inhibitor containing 3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene.	Bioorg Med Chem Lett 30: (2020)	Chungnam University	2D 3D TSV
31784317	25	Further exploration of the structure-activity relationship of imidazoquinolines; identification of potent C7-substituted imidazoquinolines.	Bioorg Med Chem Lett 30: (2020)	University of Kansas	2D 3D TSV
31784197	15	Rational design, synthesis and biological profiling of new KDM4C inhibitors.	Bioorg Med Chem 28: (2020)	Fidelta Ltd.	2D 3D TSV
31782922	107	Application of Bivalent Bioisostere Concept on Design and Discovery of Potent Opioid Receptor Modulators.	J Med Chem 62: 11399-11415 (2019)	Virginia Commonwealth University	2D 3D TSV
31780304	7	Synthesis, biological evaluation and SAR studies of ursolic acid 3?-ester derivatives as novel CETP inhibitors.	Bioorg Med Chem Lett 30: (2020)	Nanjing Medical University	2D 3D TSV
31776060	2	Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening.	Bioorg Med Chem Lett 30: (2020)	Kunming Medical University	2D 3D TSV
31774679	14	The Druggability of Solute Carriers.	J Med Chem 63: 3834-3867 (2020)	The Scripps Research Institute	2D 3D TSV
31774676	140	Structure-Activity Relationships of Pentacyclic Triterpenoids as Inhibitors of Cyclooxygenase and Lipoxygenase Enzymes.	J Nat Prod 82: 3311-3320 (2019)	Osaka University	2D 3D TSV
31769670	32	Proline-Based Allosteric Inhibitors of Zika and Dengue Virus NS2B/NS3 Proteases.	J Med Chem 62: 11359-11382 (2019)	Johannes Gutenberg University Mainz	2D 3D TSV
31767404	9	The architecture of hydrogen and sulfur ?-hole interactions explain differences in the inhibitory potency of C-?-d-glucopyranosyl thiazoles, imidazoles and an N-?-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.	Bioorg Med Chem 28: (2020)	University of Thessaly	2D 3D TSV
31767403	8	Discovery of novel small molecule induced selective degradation of the bromodomain and extra-terminal (BET) bromodomain protein BRD4 and BRD2 with cellular potencies.	Bioorg Med Chem 28: (2020)	China Pharmaceutical University	2D 3D TSV
31767402	21	Discovery of N-ethylpyridine-2-carboxamide derivatives as a novel scaffold for orally active ?-secretase modulators.	Bioorg Med Chem 28: (2020)	Astellas Pharma Inc.	2D 3D TSV
31762274	122	Synthesis of Peptoid-Based Class I-Selective Histone Deacetylase Inhibitors with Chemosensitizing Properties.	J Med Chem 62: 11260-11279 (2019)	Heinrich-Heine-Universit£t D£sseldorf	2D 3D TSV
31761726	56	Design and synthesis of cyanamides as potent and selective N-acylethanolamine acid amidase inhibitors.	Bioorg Med Chem 28: (2020)	Northeastern University	2D 3D TSV
31761656	3	Heterocycle amide isosteres: An approach to overcoming resistance for HIV-1 integrase strand transfer inhibitors.	Bioorg Med Chem Lett 30: (2020)	Bristol-Myers Squibb Research & Development	2D 3D TSV
31759849	24	Optimization of cyclic sulfamide derivatives as 11?-hydroxysteroid dehydrogenase 1 inhibitors for the potential treatment of ischemic brain injury.	Bioorg Med Chem Lett 30: (2020)	Korea Research Institute of Chemical Technology	2D 3D TSV
31757682	34	Structure-activity relationship study of the pyridine moiety of isothiazolo[4,3-b]pyridines as antiviral agents targeting cyclin G-associated kinase.	Bioorg Med Chem 28: (2020)	KU Leuven	2D 3D TSV
31757680	62	Generation of highly potent DYRK1A-dependent inducers of human ?-Cell replication via Multi-Dimensional compound optimization.	Bioorg Med Chem 28: (2020)	Stanford University	2D 3D TSV
31757667	5	Novel compounds that reverse the disease phenotype in Type 2 Gaucher disease patient-derived cells.	Bioorg Med Chem Lett 30: (2020)	Temple University School of Pharmacy	2D 3D TSV
31757666	314	Discovery and optimization of heteroaryl piperazines as potent and selective PI3K? inhibitors.	Bioorg Med Chem Lett 30: (2020)	Merck & Co.	2D 3D TSV
31756109	108	Application of Fluorine- and Nitrogen-Walk Approaches: Defining the Structural and Functional Diversity of 2-Phenylindole Class of Cannabinoid 1 Receptor Positive Allosteric Modulators.	J Med Chem 63: 542-568 (2020)	Northeastern University	2D 3D TSV
31755711	2	Discovery of Novel, Potent, Brain-Permeable, and Orally Efficacious Positive Allosteric Modulator of ?7 Nicotinic Acetylcholine Receptor [4-(5-(4-Chlorophenyl)-4-methyl-2-propionylthiophen-3-yl)benzenesulfonamide]: Structure-Activity Relationship and Preclinical Characterization.	J Med Chem 63: 944-960 (2020)	Lupin Ltd.	2D 3D TSV
31753802	6	Design, synthesis and biological evaluation of imidazole and oxazole fragments as HIV-1 integrase-LEDGF/p75 disruptors and inhibitors of microbial pathogens.	Bioorg Med Chem 28: (2020)	University of the Witwatersrand	2D 3D TSV
31753799	56	Pan-specific and partially selective dye-labeled peptidic inhibitors of the polycomb paralog proteins.	Bioorg Med Chem 28: (2020)	University of Victoria	2D 3D TSV
31753798	49	Design, synthesis and biological evaluation of 8-(2-amino-1-hydroxyethyl)-6-hydroxy-1,4-benzoxazine-3(4H)-one derivatives as potent ?	Bioorg Med Chem 28: (2020)	Shenyang Pharmaceutical University	2D 3D TSV
31753696	24	Design, synthesis and cholinesterase inhibitory activity of novel spiropyrrolidine tethered imidazole heterocyclic hybrids.	Bioorg Med Chem Lett 30: (2020)	King Saud University	2D 3D TSV
31751136	6	Effect of Modifier Structure on the Activation of Leukotriene A	J Med Chem 62: 10605-10616 (2019)	George Mason University	2D 3D TSV
31749913	50	Discovery of a Potent and Selective TRPC5 Inhibitor, Efficacious in a Focal Segmental Glomerulosclerosis Model.	ACS Med Chem Lett 10: 1579-1585 (2019)	Goldfinch Bio Inc.	2D 3D TSV
31749912	10	Synthesis and ?-Opioid Activity of the Primary Metabolites of Carfentanil.	ACS Med Chem Lett 10: 1568-1572 (2019)	United States Army CCDC Chemical Biological Center	2D 3D TSV
31749911	68	Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.	ACS Med Chem Lett 10: 1561-1567 (2019)	Nestl� Skin Health R&D	2D 3D TSV
31749910	26	INCB050465 (Parsaclisib), a Novel Next-Generation Inhibitor of Phosphoinositide 3-Kinase Delta (PI3K?).	ACS Med Chem Lett 10: 1554-1560 (2019)	Incyte Corporation	2D 3D TSV
31749909	43	Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.	ACS Med Chem Lett 10: 1549-1553 (2019)	Dana-Farber Cancer Institute	2D 3D TSV
31749908	25	Discovery of ABBV/GLPG-3221, a Potent Corrector of CFTR for the Treatment of Cystic Fibrosis.	ACS Med Chem Lett 10: 1543-1548 (2019)	AbbVie, Inc.	2D 3D TSV
31749906	52	Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.	ACS Med Chem Lett 10: 1530-1536 (2019)	Merck & Co., Inc.	2D 3D TSV
31749905	20	Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).	ACS Med Chem Lett 10: 1524-1529 (2019)	Novartis Institute for Biomedical Research	2D 3D TSV
31749904	74	Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.	ACS Med Chem Lett 10: 1518-1523 (2019)	GlaxoSmithKline	2D 3D TSV
31747516	13	Structure-Based Discovery of SD-36 as a Potent, Selective, and Efficacious PROTAC Degrader of STAT3 Protein.	J Med Chem 62: 11280-11300 (2019)	TBA	2D 3D TSV
31747282	10	Discovery of Highly Polar ?-Homophenylalanine Derivatives as Nonsystemic Intestine-Targeted Dipeptidyl Peptidase IV Inhibitors.	J Med Chem 62: 10919-10925 (2019)	University of Chinese Academy of Sciences	2D 3D TSV
31746603	34	Design and Synthesis of Basic Selective Estrogen Receptor Degraders for Endocrine Therapy Resistant Breast Cancer.	J Med Chem 62: 11301-11323 (2019)	University of Illinois at Chicago	2D 3D TSV
31746599	78	Discovery and Characterization of the Potent and Selective P2X4 Inhibitor	J Med Chem 62: 11194-11217 (2019)	Bayer AG	2D 3D TSV
31744780	5	Discovery of novel nonpeptide small-molecule NRP1 antagonists: Virtual screening, molecular simulation and structural modification.	Bioorg Med Chem 28: (2020)	China Pharmaceutical University	2D 3D TSV
31744779	32	Synthesis, in vitro and in vivo biological evaluation of novel graveolinine derivatives as potential anti-Alzheimer agents.	Bioorg Med Chem 28: (2020)	Henan University	2D 3D TSV
31744778	11	Design, synthesis and biological evaluation of substituted flavones and aurones as potential anti-influenza agents.	Bioorg Med Chem 28: (2020)	Prin. K.M. Kundnani College of Pharmacy	2D 3D TSV
31744777	4	Identification of antimalarial leads with dual falcipain-2 and falcipain-3 inhibitory activity.	Bioorg Med Chem 28: (2020)	Shoolini University of Biotechnology and Management Sciences	2D 3D TSV
31744675	27	Early identification of promiscuous attributes of aldose reductase inhibitors using a DMSO-perturbation assay.	Bioorg Med Chem Lett 30: (2020)	Kyushu University	2D 3D TSV
31744674	23	Design, synthesis and biological evaluation of mogrol derivatives as a novel class of AMPK?2?1?1 activators.	Bioorg Med Chem Lett 30: (2020)	Nanjing University of Chinese Medicine	2D 3D TSV
31743642	198	4-Aryl-1-oxa-4,9-diazaspiro[5.5]undecane Derivatives as Dual ?-Opioid Receptor Agonists and ?	J Med Chem 63: 2434-2454 (2020)	ESTEVE Pharmaceuticals SA	2D 3D TSV
31742400	125	Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5.	J Med Chem 62: 11035-11053 (2019)	Leiden University	2D 3D TSV
31740251	1	Discovery of 1,2,4-triazine-based derivatives as novel neddylation inhibitors and anticancer activity studies against gastric cancer MGC-803 cells.	J Med Chem 39: 1823-35 (1996)	Zhengzhou University	2D 3D TSV
31740249	10	PB-10, a thiazolo[4,5-d] pyrimidine derivative, targets p21-activated kinase 4 in human colorectal cancer cells.	J Med Chem 39: 267-76 (1996)	Inner Mongolia Medical University	2D 3D TSV
31740247	51	Virtual screening to identify potent sepiapterin reductase inhibitors.	Bioorg Med Chem Lett 30: (2020)	Amgen Inc.	2D 3D TSV
31740202	10	Design, synthesis, and evaluation of indeno[2,1-c]pyrazolones for use as inhibitors against hypoxia-inducible factor (HIF)-1 transcriptional activity.	Bioorg Med Chem 28: (2020)	Tokyo Institute of Innovative Research	2D 3D TSV
31740200	10	Synthesis of natural product-like polyprenylated phenols and quinones: Evaluation of their neuroprotective activities.	Bioorg Med Chem 28: (2020)	Josai University	2D 3D TSV
31740053	1887	Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.	Eur J Med Chem 185: (2020)	Vilnius University	2D 3D TSV
31738550	78	Discovery of a Highly Selective and Potent ? Opioid Receptor Agonist from	J Med Chem 62: 11054-11070 (2019)	Fudan University	2D 3D TSV
31738537	95	Subtype Selective ?-Aminobutyric Acid Type A Receptor (GABA	J Med Chem 63: 3425-3446 (2020)	University of Sussex	2D 3D TSV
31738062	22	Psiguadiols A-J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from	J Nat Prod 82: 3267-3278 (2019)	China Pharmaceutical University	2D 3D TSV
31738058	154	Structure-Based Optimization of Coumarin hA	J Med Chem 63: 2577-2587 (2020)	University of Porto	2D 3D TSV
31736307	30	Alkaloids from the Branches and Leaves of	J Nat Prod 82: 3221-3226 (2019)	Nanjing University of Science and Technology	2D 3D TSV
31736296	52	Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an ?-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.	J Med Chem 62: 10258-10271 (2019)	TBA	2D 3D TSV
31735576	3	Reasonably activating Nrf2: A long-term, effective and controllable strategy for neurodegenerative diseases.	Eur J Med Chem 185: (2020)	China Pharmaceutical University	2D 3D TSV
31735575	9	Fragment hopping-based discovery of novel sulfinylacetamide-diarylpyrimidines (DAPYs) as HIV-1 nonnucleoside reverse transcriptase inhibitors.	Eur J Med Chem 185: (2020)	Fudan University	2D 3D TSV
31734023	25	Preliminary SAR and biological evaluation of potent HIV-1 protease inhibitors with pyrimidine bases as novel P2 ligands to enhance activity against DRV-resistant HIV-1 variants.	Eur J Med Chem 185: (2020)	Chinese Academy of Medical Science and Peking Union Medical College	2D 3D TSV
31734022	133	Virtual screening-driven discovery of dual 5-HT	Eur J Med Chem 185: (2020)	Polish Academy of Sciences	2D 3D TSV
31732410	12	Hydroxyl substituted benzoic acid/cinnamic acid derivatives: Tyrosinase inhibitory kinetics, anti-melanogenic activity and molecular docking studies.	Bioorg Med Chem Lett 30: (2020)	The University of Queensland (UQ)	2D 3D TSV
31732281	21	Identification of neomacrophorins isolated from Trichoderma sp. 1212-03 as proteasome inhibitors.	Bioorg Med Chem 27: (2019)	Iwate University	2D 3D TSV
31732257	20	Discovery of covalent prolyl oligopeptidase boronic ester inhibitors.	Eur J Med Chem 185: (2020)	McGill University	2D 3D TSV
31732254	1	Discovery of candesartan cilexetic as a novel neddylation inhibitor for suppressing tumor growth.	Eur J Med Chem 185: (2020)	Shanghai University of Traditional Chinese Medicine	2D 3D TSV
31732253	20	Targeting CXCR1/2: The medicinal potential as cancer immunotherapy agents, antagonists research highlights and challenges ahead.	Eur J Med Chem 185: (2020)	Hangzhou Institute of Innovative Medicine	2D 3D TSV
31732252	5	Synthesis, biological evaluation, and docking study of indole aryl sulfonamides as aromatase inhibitors.	Eur J Med Chem 185: (2020)	"G. d'Annunzio" University	2D 3D TSV
31730343	6	Discovery of a First-in-Class Mitogen-Activated Protein Kinase Kinase 1/2 Degrader.	J Med Chem 62: 10897-10911 (2019)	Icahn School of Medicine at Mount Sinai	2D 3D TSV
31729878	29	Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach ?.	J Med Chem 62: 10833-10847 (2019)	Universit£ degli Studi di Parma	2D 3D TSV
31729873	43	Structure-Based and Property-Driven Optimization of	J Med Chem 62: 10816-10832 (2019)	Global Discovery Chemistry	2D 3D TSV
31727472	30	Indole-based melatonin analogues: Synthetic approaches and biological activity.	Eur J Med Chem 185: (2020)	Nantong University	2D 3D TSV
31727470	10	Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs).	Eur J Med Chem 185: (2020)	University of Perugia	2D 3D TSV
31727451	8	Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.	Bioorg Med Chem 27: (2019)	Monash University (Parkville Campus)	2D 3D TSV
31725297	280	Farnesyl Pyrophosphate Synthase as a Target for Drug Development: Discovery of Natural-Product-Derived Inhibitors and Their Activity in Pancreatic Cancer Cells.	J Med Chem 62: 10867-10896 (2019)	Tsinghua University	2D 3D TSV
31725295	54	Kinetic Optimization of Lysine-Targeting Covalent Inhibitors of HSP72.	J Med Chem 62: 11383-11398 (2019)	The Institute of Cancer Research	2D 3D TSV
31725285	170	Identification of Methionine Aminopeptidase-2 (MetAP-2) Inhibitor	J Med Chem 62: 11119-11134 (2019)	Merck Healthcare	2D 3D TSV
31724864	148	Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.	J Med Chem 62: 11232-11259 (2019)	Vanderbilt University	2D 3D TSV
31724863	29	Biphenyl Acid Derivatives as APJ Receptor Agonists.	J Med Chem 62: 10456-10465 (2019)	Bristol-Myers Squibb	2D 3D TSV
31724859	23	New Dual Small Molecules for Alzheimer's Disease Therapy Combining Histamine H	J Med Chem 62: 11416-11422 (2019)	Universit£ Bourgogne Franche-Comt£	2D 3D TSV
31724854	30	Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for Nicotinamide	J Med Chem 62: 10783-10797 (2019)	TBA	2D 3D TSV
31721581	153	An Agonist Radioligand for the Proinflammatory Lipid-Activated G Protein-Coupled Receptor GPR84 Providing Structural Insights.	J Med Chem 63: 2391-2410 (2020)	University of Bonn	2D 3D TSV
31721578	44	Identification of a Multitargeted Tyrosine Kinase Inhibitor for the Treatment of Gastrointestinal Stromal Tumors and Acute Myeloid Leukemia.	J Med Chem 62: 11135-11150 (2019)	National Health Research Institutes	2D 3D TSV
31721572	27	Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3	J Med Chem 63: 512-528 (2020)	Sanofi	2D 3D TSV
31718943	127	Synthesis, biological and molecular dynamics investigations with a series of triazolopyrimidine/triazole-based benzenesulfonamides as novel carbonic anhydrase inhibitors.	Eur J Med Chem 185: (2020)	Egyptian Russian University	2D 3D TSV
31718182	84	Discovery of an Oleanolic Acid/Hederagenin-Nitric Oxide Donor Hybrid as an EGFR Tyrosine Kinase Inhibitor for Non-Small-Cell Lung Cancer.	J Nat Prod 82: 3065-3073 (2019)	Soochow University	2D 3D TSV
31715099	208	Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.	J Med Chem 62: 10676-10690 (2019)	Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences and Gilead Sciences Research Centre at IOCB	2D 3D TSV
31714780	14	Ligand-Based Design of Nondimethylphenyl-Diarylpyrimidines with Improved Metabolic Stability, Safety, and Oral Pharmacokinetic Profiles.	J Med Chem 62: 11430-11436 (2019)	Fudan University	2D 3D TSV
31714779	37	Benzisothiazolinone Derivatives as Potent Allosteric Monoacylglycerol Lipase Inhibitors That Functionally Mimic Sulfenylation of Regulatory Cysteines.	J Med Chem 63: 1261-1280 (2020)	Universit£ degli Studi di Parma	2D 3D TSV
31714776	30	Optimization Strategy of Novel Peptide-Based Michael Acceptors for the Treatment of Human African Trypanosomiasis.	J Med Chem 62: 10617-10629 (2019)	University of Messina	2D 3D TSV
31714773	2	Promiscuity of in Vitro Secondary Pharmacology Assays and Implications for Lead Optimization Strategies.	J Med Chem 63: 6251-6275 (2020)	AstraZeneca	2D 3D TSV
31711793	20	Design of novel monoamine oxidase-B inhibitors based on piperine scaffold: Structure-activity-toxicity, drug-likeness and efflux transport studies.	Eur J Med Chem 185: (2020)	University of Porto	2D 3D TSV
31711785	25	Design, synthesis and evaluation of 2-amino-imidazol-4-one derivatives as potent ?-site amyloid precursor protein cleaving enzyme 1 (BACE-1) inhibitors.	Bioorg Med Chem Lett 29: (2019)	Nanjing University of Chinese Medicine	2D 3D TSV
31711716	55	Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases.	Bioorg Med Chem 27: (2019)	National Centre for Scientific Research "Demokritos"	2D 3D TSV
31710489	55	Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC).	J Med Chem 62: 11004-11018 (2019)	AstraZeneca	2D 3D TSV
31710483	144	Novel Benzohydroxamate-Based Potent and Selective Histone Deacetylase 6 (HDAC6) Inhibitors Bearing a Pentaheterocyclic Scaffold: Design, Synthesis, and Biological Evaluation.	J Med Chem 62: 10711-10739 (2019)	Preclinical R&D	2D 3D TSV
31710479	66	Discovery and Characterization of Potent Pan-Genotypic HCV NS5A Inhibitors Containing Novel Tricyclic Central Core Leading to Clinical Candidate.	J Med Chem 62: 10563-10582 (2019)	Lupin Ltd.	2D 3D TSV
31710475	52	Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.	J Med Chem 62: 10740-10756 (2019)	TBA	2D 3D TSV
31708262	11	Discovery of potent and selective butyrylcholinesterase inhibitors through the use of pharmacophore-based screening.	Bioorg Med Chem Lett 29: (2019)	University of Kentucky	2D 3D TSV
31708184	4	Discovery of [1,2,4]-triazolo [1,5-a]pyrimidine-7(4H)-one derivatives as positive modulators of GABA	Eur J Med Chem 185: (2020)	Qingdao University of Science and Technology	2D 3D TSV
31708183	3	Design, synthesis and biological evaluation of oseltamivir derivatives containing pyridyl group as potent inhibitors of neuraminidase for influenza A.	Eur J Med Chem 185: (2020)	Wuyi University	2D 3D TSV
31706668	4	A new chemotype with promise against Trypanosoma cruzi.	Bioorg Med Chem Lett 30: (2020)	University of Nebraska Medical Center	2D 3D TSV
31706640	5	Selective apoptosis-inducing activity of synthetic hydrocarbon-stapled SOS1 helix with d-amino acids in H358 cancer cells expressing KRAS	Eur J Med Chem 185: (2020)	China Pharmaceutical University	2D 3D TSV
31706639	16	Design, synthesis, and evaluation of compounds capable of reducing Pseudomonas aeruginosa virulence.	Eur J Med Chem 185: (2020)	Texas Tech University Health Sciences Center	2D 3D TSV
31703817	2	Discovery of small-molecule candidates against inflammatory bowel disease.	Eur J Med Chem 185: (2020)	Zhejiang University	2D 3D TSV
31702924	10	Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic.	J Med Chem 63: 418-424 (2020)	Seoul National University	2D 3D TSV
31702922	55	Optimizing Targeted Inhibitors of P-Glycoprotein Using Computational and Structure-Guided Approaches.	J Med Chem 62: 10645-10663 (2019)	TBA	2D 3D TSV
31702918	176	Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.	J Med Chem 62: 10757-10782 (2019)	Johann Wolfgang Goethe-University	2D 3D TSV
31699612	15	Structure-based analysis and biological characterization of imatinib derivatives reveal insights towards the inhibition of wild-type BCR-ABL and its mutants.	Bioorg Med Chem Lett 29: (2019)	Peking Union Medical College and Chinese Academy of Medical Sciences	2D 3D TSV
31699609	5	An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue.	Bioorg Med Chem Lett 30: (2020)	Osaka Prefecture University	2D 3D TSV
31699607	9	Synthesis and antidepressant-like activity of novel alkoxy-piperidine derivatives targeting SSRI/5-HT	Bioorg Med Chem Lett 29: (2019)	China Pharmaceutical University	2D 3D TSV
31699606	43	Novel benzimidazole phosphonates as potential inhibitors of protein prenylation.	Bioorg Med Chem Lett 29: (2019)	University of Iowa	2D 3D TSV
31699536	19	Development of small molecule inhibitors targeting NLRP3 inflammasome pathway for inflammatory diseases.	Eur J Med Chem 185: (2020)	Shandong University	2D 3D TSV
31693947	44	Direct and straightforward access to substituted alkyl selenols as novel carbonic anhydrase inhibitors.	Eur J Med Chem 185: (2020)	University of Florence	2D 3D TSV
31693857	56	Development of Robust 17(	J Med Chem 62: 10124-10143 (2019)	University of Texas Southwestern	2D 3D TSV
31693351	473	Discovery of 4	J Med Chem 62: 10691-10710 (2019)	TBA	2D 3D TSV
31689116	42	A New Approach of Mitigating CYP3A4 Induction Led to the Discovery of Potent Hepatitis B Virus (HBV) Capsid Inhibitor with Optimal ADMET Profiles.	J Med Chem 62: 10352-10361 (2019)	TBA	2D 3D TSV
31689114	22	Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.	J Med Chem 62: 10272-10293 (2019)	Boehringer Ingelheim RCV GmbH & Co KG	2D 3D TSV
31687820	45	Discovery of Novel Small Molecule Dual Inhibitors Targeting Toll-Like Receptors	J Med Chem 62: 10221-10244 (2019)	University of Colorado Boulder	2D 3D TSV
31685330	26	6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.	Bioorg Med Chem 27: (2019)	National Science and Technology Development Agency	2D 3D TSV
31683104	22	Design, synthesis and 3D-QSAR analysis of novel thiopyranopyrimidine derivatives as potential antitumor agents inhibiting A549 and Hela cancer cells.	Eur J Med Chem 185: (2020)	Jiangxi Science & Technology Normal University	2D 3D TSV
31683103	16	Nitrothiadiazolo[3,2-a]pyrimidines as promising antiglycating agents.	Eur J Med Chem 185: (2020)	Ural Federal University Named After the First President of Russia B.N. Eltsin	2D 3D TSV
31682434	15	Isoquinoline Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-like 2 (KEAP1-NRF2) Inhibitors with High Metabolic Stability.	J Med Chem 63: 6547-6560 (2020)	TBA	2D 3D TSV
31682427	13	Advances in Discovering Deubiquitinating Enzyme (DUB) Inhibitors.	J Med Chem 63: 2731-2750 (2020)	Dana-Farber Cancer Institute	2D 3D TSV
31679978	18	Discovery of amide-bridged pyrrolo[2,3-d]pyrimidines as tumor targeted classical antifolates with selective uptake by folate receptor ? and inhibition of de novo purine nucleotide biosynthesis.	Bioorg Med Chem 27: (2019)	Duquesne University	2D 3D TSV
31679973	18	Design, synthesis and biological evaluation of novel desloratadine derivatives with anti-inflammatory and H	Bioorg Med Chem Lett 29: (2019)	China Pharmaceutical University	2D 3D TSV
31679971	44	6-Substituted amiloride derivatives as inhibitors of the urokinase-type plasminogen activator for use in metastatic disease.	Bioorg Med Chem Lett 29: (2019)	University of Wollongong	2D 3D TSV
31678007	68	Identification of a new small molecule chemotype of Melanin Concentrating Hormone Receptor-1 antagonists using pharmacophore-based virtual screening.	Bioorg Med Chem Lett 29: (2019)	University of Science and Technology	2D 3D TSV
31678006	69	Discovery and optimization of a series of small-molecule allosteric inhibitors of MALT1 protease.	Bioorg Med Chem Lett 29: (2019)	Janssen Research & Development, LLC	2D 3D TSV
31677447	44	Synthesis and biological evaluation of new MET inhibitors with 1,6-naphthyridinone scaffold.	Eur J Med Chem 185: (2020)	Central China Normal University	2D 3D TSV
31676224	8	Discovery of a novel bicyclic compound, DS54360155, as an orally potent analgesic without mu-opioid receptor agonist activity.	Bioorg Med Chem Lett 29: (2019)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
31675512	3	Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological properties.	Eur J Med Chem 185: (2020)	Universitat de Barcelona	2D 3D TSV
31675511	3	6-Methyluracil derivatives as peripheral site ligand-hydroxamic acid conjugates: Reactivation for paraoxon-inhibited acetylcholinesterase.	Eur J Med Chem 185: (2020)	Kazan Scientific Center of the Russian Academy of Sciences	2D 3D TSV
31675229	45	Drug Design Targeting T-Cell Factor-Driven Epithelial-Mesenchymal Transition as a Therapeutic Strategy for Colorectal Cancer.	J Med Chem 62: 10182-10203 (2019)	Colorado State University	2D 3D TSV
31675226	63	4-(3-Aminoazetidin-1-yl)pyrimidin-2-amines as High-Affinity Non-imidazole Histamine H	J Med Chem 62: 10848-10866 (2019)	Vrije Universiteit Amsterdam	2D 3D TSV
31675224	62	Synthesis, Pharmacological Characterization, and Structure-Activity Relationships of Noncanonical Selective Agonists for ?7 nAChRs.	J Med Chem 62: 10376-10390 (2019)	University of California-San Diego	2D 3D TSV
31674782	10	Flavipesines A and B and Asperchalasines E-H: Cytochalasans and Merocytochalasans from	J Nat Prod 82: 2994-3001 (2019)	Huazhong University of Science and Technology	2D 3D TSV
31672259	13	The identification and pharmacological evaluation of potent, selective and orally available ACC1 inhibitor.	Bioorg Med Chem Lett 29: (2019)	Takeda Pharmaceutical Company Limited	2D 3D TSV
31670954	9	The Immunoproteasome: An Emerging Target in Cancer and Autoimmune and Neurological Disorders.	J Med Chem 63: 1841-1858 (2020)	Purdue University	2D 3D TSV
31670517	41	Discovery of Potent and Orally Effective Dual Janus Kinase 2/FLT3 Inhibitors for the Treatment of Acute Myelogenous Leukemia and Myeloproliferative Neoplasms.	J Med Chem 62: 10305-10320 (2019)	West China Hospital of Sichuan University	2D 3D TSV
31670515	79	Discovery of BAY-298 and BAY-899: Tetrahydro-1,6-naphthyridine-Based, Potent, and Selective Antagonists of the Luteinizing Hormone Receptor Which Reduce Sex Hormone Levels in Vivo.	J Med Chem 62: 10321-10341 (2019)	Bayer AG	2D 3D TSV
31670514	45	Could Dissecting the Molecular Framework of ?-Lactam Integrin Ligands Enhance Selectivity?	J Med Chem 62: 10156-10166 (2019)	University of Bologna	2D 3D TSV
31670201	32	A novel chalcone derivative as Nrf2 activator attenuates learning and memory impairment in a scopolamine-induced mouse model.	Eur J Med Chem 185: (2020)	Korea Institute of Science and Technology (KIST)	2D 3D TSV
31669851	38	Search for new multi-target compounds against Alzheimer's disease among histamine H	Eur J Med Chem 185: (2020)	Jagiellonian University Medical College	2D 3D TSV
31668972	6	Discovery of arylamide-5-anilinoquinazoline-8-nitro derivatives as VEGFR-2 kinase inhibitors: Synthesis, in vitro biological evaluation and molecular docking.	Bioorg Med Chem Lett 29: (2019)	Yunnan University	2D 3D TSV
31668424	17	An anthrone-based Kv7.2/7.3 channel blocker with improved properties for the investigation of psychiatric and neurodegenerative disorders.	Bioorg Med Chem Lett 29: (2019)	Marquette University	2D 3D TSV
31668072	1	Glechomanamides A-C, Germacrane Sesquiterpenoids with an Unusual ?	J Nat Prod 82: 3056-3064 (2019)	Seoul National University	2D 3D TSV
31668062	2	Sugar Kick Prevents Memory Impairment.	J Med Chem 62: 10059-10061 (2019)	TBA	2D 3D TSV
31663737	54	Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.	J Med Chem 62: 10144-10155 (2019)	University of Toronto	2D 3D TSV
31663736	15	Heat Shock Protein 90 Inhibitors: An Update on Achievements, Challenges, and Future Directions.	J Med Chem 63: 1798-1822 (2020)	China Pharmaceutical University	2D 3D TSV
31663735	1	?-Lactamase Inhibitors To Restore the Efficacy of Antibiotics against Superbugs.	J Med Chem 63: 1859-1881 (2020)	Universidade de Santiago de Compostela	2D 3D TSV
31663733	36	Validation of Human Sterol 14?-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.	J Med Chem 62: 10391-10401 (2019)	Vanderbilt University School of Medicine	2D 3D TSV
31661268	99	Structure-Activity Relationships for a Series of (Bis(4-fluorophenyl)methyl)sulfinyl Alkyl Alicyclic Amines at the Dopamine Transporter: Functionalizing the Terminal Nitrogen Affects Affinity, Selectivity, and Metabolic Stability.	J Med Chem 63: 2343-2357 (2020)	National Institute on Drug Abuse-Intramural Research Program	2D 3D TSV
31658420	98	Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding.	J Med Chem 63: 1445-1472 (2020)	Philipps University Marburg	2D 3D TSV
31658413	6	Structure-Activity Relationship Studies of Small Molecule Modulators of the Staphylococcal Accessory Gene Regulator.	J Med Chem 63: 2705-2730 (2020)	Veterans Affairs Eastern Colorado Health Care System	2D 3D TSV
31657556	9	Enhancing the Cell Permeability of Stapled Peptides with a Cyclic Cell-Penetrating Peptide.	J Med Chem 62: 10098-10107 (2019)	The Ohio State University	2D 3D TSV
31655430	56	N-alkyl-hydroxybenzoyl anilide hydroxamates as dual inhibitors of HDAC and HSP90, downregulating IFN-? induced PD-L1 expression.	Eur J Med Chem 185: (2020)	Taipei Medical University	2D 3D TSV
31655429	42	Optimization of pyrrolizine-based Schiff bases with 4-thiazolidinone motif: Design, synthesis and investigation of cytotoxicity and anti-inflammatory potency.	Eur J Med Chem 185: (2020)	Umm Al-Qura University	2D 3D TSV
31655335	2	From bench to counter: Discovery and validation of a peony extract as tyrosinase inhibiting cosmeceutical.	Eur J Med Chem 184: (2019)	University of Innsbruck	2D 3D TSV
31648877	17	Design, synthesis and biological evaluation of benzoylacrylic acid shikonin ester derivatives as irreversible dual inhibitors of tubulin and EGFR.	Bioorg Med Chem 27: (2019)	Nanjing University	2D 3D TSV
31648876	19	Impact of hydroxy moieties at the benzo[7]annulene ring system of GluN2B ligands: Design, synthesis and biological evaluation.	Bioorg Med Chem 27: (2019)	Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster	2D 3D TSV
31648875	3	Design, synthesis, and bioactivity of dihydropyrimidine derivatives as kinesin spindle protein inhibitors.	Bioorg Med Chem 27: (2019)	Tanta University	2D 3D TSV
31648125	8	Overcoming imatinib resistance in chronic myelogenous leukemia cells using non-cytotoxic cell death modulators.	Eur J Med Chem 185: (2020)	University of Innsbruck	2D 3D TSV
31647659	576	Free-Wilson Analysis of Comprehensive Data on Phosphoinositide-3-kinase (PI3K) Inhibitors Reveals Importance of	J Med Chem 62: 10402-10422 (2019)	University of Nottingham	2D 3D TSV
31647655	114	Kinase Chemodiversity from the Arctic: The Breitfussins.	J Med Chem 62: 10167-10181 (2019)	UiT - The Arctic University of Norway	2D 3D TSV
31644280	1	Differentiating the Pharmacodynamics and Toxicology of Macrolide and Ketolide Antibiotics.	J Med Chem 63: 6462-6473 (2020)	Ponce De Leon Health	2D 3D TSV
31640885	7	Synthesis of 2-arylhydrazinylidene-3-oxo-4,4,4-trifluorobutanoic acids as new selective carboxylesterase inhibitors and radical scavengers.	Bioorg Med Chem Lett 29: (2019)	Ural Branch of Russian Academy of Sciences	2D 3D TSV
31638805	6	Development and Therapeutic Potential of Selenazo Compounds.	J Med Chem 63: 1473-1489 (2020)	Universidad de Navarra	2D 3D TSV
31638799	46	Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.	J Med Chem 62: 10204-10220 (2019)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
31638797	193	Rationally Designed, Conformationally Constrained Inverse Agonists of ROR?t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.	J Med Chem 62: 9931-9946 (2019)	Bristol-Myers Squibb	2D 3D TSV
31635932	29	Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.	Bioorg Med Chem Lett 29: (2019)	Merck Healthcare	2D 3D TSV
31633354	7	Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.	J Med Chem 62: 9753-9771 (2019)	Philipps-Universit£t Marburg	2D 3D TSV
31633350	2	Engineering Fluorine into Verticillins (Epipolythiodioxopiperazine Alkaloids) via Precursor-Directed Biosynthesis.	J Nat Prod 82: 3104-3110 (2019)	University of North Carolina at Greensboro	2D 3D TSV
31630858	15	One-pot synthesis of novel tert-butyl-4-substituted phenyl-1H-1,2,3-triazolo piperazine/piperidine carboxylates, potential GPR119 agonists.	Bioorg Med Chem Lett 29: (2019)	Koneru Lakshmaiah Education Foundation	2D 3D TSV
31630055	21	Optimization of the chromone scaffold through QSAR and docking studies: Identification of potent inhibitors of ABCG2.	Eur J Med Chem 184: (2019)	Univ. Grenoble Alpes	2D 3D TSV
31630054	335	Synthesis and structure activity relationship of 1, 3-benzo-thiazine-2-thiones as selective HDAC8 inhibitors.	Eur J Med Chem 184: (2019)	University of Applied Sciences	2D 3D TSV
31630053	21	Synthetic strategy and SAR studies of C-glucoside heteroaryls as SGLT2 inhibitor: A review.	Eur J Med Chem 184: (2019)	Jamia Hamdard	2D 3D TSV
31629632	3	Novel berberine-based derivatives with potent hypoglycemic activity.	Bioorg Med Chem Lett 29: (2019)	Guizhou Medical University	2D 3D TSV
31629631	4	Design, synthesis, and biological evaluation of 4-phenoxyquinoline derivatives as potent c-Met kinase inhibitor.	Bioorg Med Chem Lett 29: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31629610	96	Piperidine and piperazine inhibitors of fatty acid amide hydrolase targeting excitotoxic pathology.	Bioorg Med Chem 27: (2019)	Northeastern University	2D 3D TSV
31629164	82	3-Hydrazinoisatin-based benzenesulfonamides as novel carbonic anhydrase inhibitors endowed with anticancer activity: Synthesis, in vitro biological evaluation and in silico insights.	Eur J Med Chem 184: (2019)	Egyptian Russian University	2D 3D TSV
31629163	7	Benzo[b]thiophene-thiazoles as potent anti-Toxoplasma gondii agents: Design, synthesis, tyrosinase/tyrosine hydroxylase inhibitors, molecular docking study, and antioxidant activity.	Eur J Med Chem 184: (2019)	Nicolaus Copernicus University	2D 3D TSV
31629162	123	Structure-based design and SAR development of novel selective polo-like kinase 1 inhibitors having the tetrahydropteridin scaffold.	Eur J Med Chem 184: (2019)	Hefei University of Technology	2D 3D TSV
31627993	33	Synthesis and antidepressant effect of novel aralkyl piperazine and piperidine derivatives targeting SSRI/5-HT	Bioorg Med Chem Lett 29: (2019)	China State Institute of Pharmaceutical Industry	2D 3D TSV
31627991	35	Design, synthesis and biological evaluation of curcumin analogues as novel LSD1 inhibitors.	Bioorg Med Chem Lett 29: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31627059	29	Discovery of a potent histone deacetylase (HDAC) 3/6 selective dual inhibitor.	Eur J Med Chem 184: (2019)	National University of Singapore	2D 3D TSV
31626547	60	Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.	J Med Chem 62: 9703-9717 (2019)	University of Warwick	2D 3D TSV
31626545	58	Discovery of Second-Generation NLRP3 Inflammasome Inhibitors: Design, Synthesis, and Biological Characterization.	J Med Chem 62: 9718-9731 (2019)	TBA	2D 3D TSV
31625751	12	Synthesis, Purification, and Selective ?	J Nat Prod 82: 2986-2993 (2019)	Shandong University	2D 3D TSV
31625738	4	Trivirensols: Selectively Bacteriostatic Sesquiterpene Trimers from the Australian Termite Nest-Derived Fungus	J Nat Prod 82: 3165-3175 (2019)	The University of Queensland	2D 3D TSV
31624041	1	Synthesis and biological evaluation of 3-acyl-2-phenylamino-1,4-dihydroquinolin-4(1H)-one derivatives as potential MERS-CoV inhibitors.	Bioorg Med Chem Lett 29: (2019)	Korea Research Institute of Chemical Technology	2D 3D TSV
31623970	31	Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.	Bioorg Med Chem 27: (2019)	Hokkaido University	2D 3D TSV
31622854	6	Discovery and biological evaluation of vinylsulfonamide derivatives as highly potent, covalent TEAD autopalmitoylation inhibitors.	Eur J Med Chem 184: (2019)	Shanghai Institute of Materia Medica	2D 3D TSV
31622099	44	Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88	J Med Chem 62: 9918-9930 (2019)	AstraZeneca	2D 3D TSV
31622096	49	Small-Molecule Inhibitors of Necroptosis: Current Status and Perspectives.	J Med Chem 63: 1490-1510 (2020)	Fudan University	2D 3D TSV
31620239	19	Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.	ACS Med Chem Lett 10: 1492-1497 (2019)	AstraZeneca	2D 3D TSV
31620238	50	Discovery of Pyridazinone and Pyrazolo[1,5-	ACS Med Chem Lett 10: 1486-1491 (2019)	Bristol-Myers Squibb Company	2D 3D TSV
31620237	18	Scaffold Morphing To Identify Novel DprE1 Inhibitors with Antimycobacterial Activity.	ACS Med Chem Lett 10: 1480-1485 (2019)	AstraZeneca	2D 3D TSV
31620231	68	Dual Inhibition of TAF1 and BET Bromodomains from the BI-2536 Kinase Inhibitor Scaffold.	ACS Med Chem Lett 10: 1443-1449 (2019)	Dana Farber Cancer Institute	2D 3D TSV
31620230	283	3-Amino-chromanes and Tetrahydroquinolines as Selective 5-HT	ACS Med Chem Lett 10: 1436-1442 (2019)	University of Minnesota Twin Cities	2D 3D TSV
31620228	11	Novel Pyrazole-Containing Compounds Active against	ACS Med Chem Lett 10: 1423-1429 (2019)	Sapienza University of Rome	2D 3D TSV
31620227	9	Chalcone-Thiazole Hybrids: Rational Design, Synthesis, and Lead Identification against 5-Lipoxygenase.	ACS Med Chem Lett 10: 1415-1422 (2019)	Indian Institute of Technology	2D 3D TSV
31620226	66	Pyridinylimidazoles as GSK3? Inhibitors: The Impact of Tautomerism on Compound Activity via Water Networks.	ACS Med Chem Lett 10: 1407-1414 (2019)	Eberhard Karls Universit£t T£bingen	2D 3D TSV
31620221	6	Lysophosphatidic Acid Receptor 1 Antagonists for the Treatment of Fibrosis.	ACS Med Chem Lett 10: 1378-1379 (2019)	Therachem Research Medilab, LLC	2D 3D TSV
31620220	11	Inhibitors of KRAS May Potentially Provide Effective Cancer Treatment.	ACS Med Chem Lett 10: 1376-1377 (2019)	Therachem Research Medilab, LLC.	2D 3D TSV
31620219	24	Second-Generation FGFR Inhibitors for the Treatment of Cancers Harboring Mutated FGFRs.	ACS Med Chem Lett 10: 1374-1375 (2019)	Therachem Research Medilab, LLC.	2D 3D TSV
31620216	5	PROTAC-Mediated Degradation of Estrogen Receptor in the Treatment of Cancer.	ACS Med Chem Lett 10: 1367-1369 (2019)	Usona Institute	2D 3D TSV
31618032	17	Structure-Activity Relationships of	J Med Chem 62: 9792-9805 (2019)	University of Melbourne	2D 3D TSV
31618031	28	Protein Tyrosine Phosphatase 1B Inhibitory Iridoids from	J Nat Prod 82: 2916-2924 (2019)	University of Illinois at Chicago	2D 3D TSV
31618025	2	Garcinol and Related Polyisoprenylated Benzophenones as Topoisomerase II Inhibitors: Biochemical and Molecular Modeling Studies.	J Nat Prod 82: 2768-2779 (2019)	European Biomedical Research Institute of Salerno (EBRIS)	2D 3D TSV
31618024	26	Structure-Activity Relationships of Fish Oil Derivatives with Antiallergic Activity in Vitro and in Vivo.	J Med Chem 62: 9576-9592 (2019)	Ehime University	2D 3D TSV
31617715	19	In Vitro Activation of Cytochrome P450 46A1 (CYP46A1) by Efavirenz-Related Compounds.	J Med Chem 63: 6477-6488 (2020)	Case Western Reserve University	2D 3D TSV
31617361	122	Oleanolic Acid Derivatives as Potential Inhibitors of HIV-1 Protease.	J Nat Prod 82: 2886-2896 (2019)	TBA	2D 3D TSV
31614258	178	Discovery and development of extreme selective inhibitors of the ITD and D835Y mutant FLT3 kinases.	Eur J Med Chem 184: (2019)	Vichem Chemie Research Ltd	2D 3D TSV
31613617	195	Benzyl Phenylsemicarbazides: A Chemistry-Driven Approach Leading to G Protein-Biased Dopamine D	J Med Chem 62: 9658-9679 (2019)	Friedrich-Alexander-Universit£t Erlangen-N£rnberg	2D 3D TSV
31610943	354	Lead identification and characterization of hTrkA type 2 inhibitors.	Bioorg Med Chem Lett 29: (2019)	Zoetis Inc	2D 3D TSV
31610942	65	Discovery of novel inhibitors of phosphodiesterase 4 with 1-phenyl-3,4-dihydroisoquinoline scaffold: Structure-based drug design and fragment identification.	Bioorg Med Chem Lett 29: (2019)	South China Agricultural University	2D 3D TSV
31610377	5	Structure-activity relationship study of NPP1 inhibitors based on uracil-N1-(methoxy)ethyl-?-phosphate scaffold.	Eur J Med Chem 184: (2019)	Bar-Ilan University	2D 3D TSV
31610376	28	Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors.	Eur J Med Chem 184: (2019)	China Pharmaceutical University	2D 3D TSV
31610372	3	Design, synthesis, and biological evaluation of 1-substituted -2-aryl imidazoles targeting tubulin polymerization as potential anticancer agents.	Eur J Med Chem 184: (2019)	Southern Medical University	2D 3D TSV
31609613	244	Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.	J Med Chem 62: 9045-9060 (2019)	TBA	2D 3D TSV
31609608	59	Dual-Acting Cholinesterase-Human Cannabinoid Receptor 2 Ligands Show Pronounced Neuroprotection in Vitro and Overadditive and Disease-Modifying Neuroprotective Effects in Vivo.	J Med Chem 62: 9078-9102 (2019)	Julius Maximilian University of W£rzburg	2D 3D TSV
31609115	50	Highly Selective Butyrylcholinesterase Inhibitors with Tunable Duration of Action by Chemical Modification of Transferable Carbamate Units Exhibit Pronounced Neuroprotective Effect in an Alzheimer's Disease Mouse Model.	J Med Chem 62: 9116-9140 (2019)	Julius Maximilian University W£rzburg	2D 3D TSV
31606346	58	Discovery and optimization of covalent Bcl-xL antagonists.	Bioorg Med Chem Lett 29: (2019)	AstraZeneca	2D 3D TSV
31604164	76	Anti-hepatitis-C virus activity and QSAR study of certain thiazolidinone and thiazolotriazine derivatives as potential NS5B polymerase inhibitors.	Eur J Med Chem 184: (2019)	Cairo University	2D 3D TSV
31603674	48	Development and Characterization of a Fluorescent Probe for GLS1 and the Application for High-Throughput Screening of Allosteric Inhibitors.	J Med Chem 62: 9642-9657 (2019)	China Pharmaceutical University	2D 3D TSV
31599580	10	Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2-	J Med Chem 63: 2547-2556 (2020)	University of Oxford	2D 3D TSV
31597043	23	Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1.	J Med Chem 62: 9890-9905 (2019)	University Medicine Greifswald	2D 3D TSV
31596583	306	Synthesis and Pharmacological Evaluation of 1-Phenyl-3-Thiophenylurea Derivatives as Cannabinoid Type-1 Receptor Allosteric Modulators.	J Med Chem 62: 9806-9823 (2019)	Research Triangle Institute	2D 3D TSV
31596080	10	Design, Synthesis, and Pharmacological Evaluation of Potent Positive Allosteric Modulators of the Glucagon-like Peptide-1 Receptor (GLP-1R).	J Med Chem 63: 2292-2307 (2020)	Sanofi-Aventis Deutschland GmbH	2D 3D TSV
31591015	34	Design, synthesis, and evaluation of potent novel peroxisome proliferator-activated receptor ? indole partial agonists.	Bioorg Med Chem Lett 29: (2019)	The University of Oklahoma Health Science Center	2D 3D TSV
31589992	58	Discovery of novel allosteric site and covalent inhibitors of FBPase with potent hypoglycemic effects.	Eur J Med Chem 184: (2019)	International Cooperation Base of Pesticide and Green Synthesis (Hubei)	2D 3D TSV
31589440	90	High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide	J Med Chem 62: 9837-9873 (2019)	BioKin Ltd.	2D 3D TSV
31589047	6	Protein Stability Effects in Aggregate-Based Enzyme Inhibition.	J Med Chem 62: 9593-9599 (2019)	University of California	2D 3D TSV
31589043	91	Discovery of AM-6494: A Potent and Orally Efficacious ?-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2.	J Med Chem 63: 2263-2281 (2020)	TBA	2D 3D TSV
31586817	96	Synthesis and biological evaluation of new multi-target 3-(1H-indol-3-yl)pyrrolidine-2,5-dione derivatives with potential antidepressant effect.	Eur J Med Chem 183: (2019)	Medical University of Warsaw	2D 3D TSV
31585275	8	Novel virosecurinine bivalent mimetics as potent reversal agents against P-glycoprotein-mediated multidrug resistance.	Eur J Med Chem 183: (2019)	Jinan University	2D 3D TSV
31581005	29	Phosphatidylinositol 3 kinase (PI3K) inhibitors as new weapon to combat cancer.	Eur J Med Chem 183: (2019)	Ain Shams University	2D 3D TSV
31581004	41	The discovery of a potent and selective third-generation EGFR kinase inhibitor as a therapy for EGFR L858R/T790M double mutant non-small cell lung cancer.	Eur J Med Chem 183: (2019)	Sun Yat-sen University	2D 3D TSV
31581003	57	Structure-activity relationships of serotonin 5-HT	Eur J Med Chem 183: (2019)	Normandie Univ	2D 3D TSV
31581002	70	Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease.	Eur J Med Chem 183: (2019)	Chinese Academy of Sciences	2D 3D TSV
31580668	29	Hot-Spots of Mcl-1 Protein.	J Med Chem 63: 928-943 (2020)	Normandie Univiversit�	2D 3D TSV
31580666	206	Structure-Kinetic Profiling of Haloperidol Analogues at the Human Dopamine D	J Med Chem 62: 9488-9520 (2019)	University of Nottingham	2D 3D TSV
31580660	120	-Benzyl/Aryl Substituted Tryptanthrin as Dual Inhibitors of Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase.	J Med Chem 62: 9161-9174 (2019)	Fudan University	2D 3D TSV
31580073	92	Identification and Optimization of Mechanism-Based Fluoroallylamine Inhibitors of Lysyl Oxidase-like 2/3.	J Med Chem 62: 9874-9889 (2019)	Pharmaxis Ltd	2D 3D TSV
31577901	15	Chirality-Driven Mode of Binding of ?-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).	J Med Chem 62: 9691-9702 (2019)	McGill University	2D 3D TSV
31577440	4	Recent Developments in Therapeutic Peptides for the Glucagon-like Peptide 1 and 2 Receptors.	J Med Chem 63: 905-927 (2020)	Sosei Heptares	2D 3D TSV
31573805	2	Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic	J Nat Prod 82: 2897-2906 (2019)	Huazhong University of Science and Technology	2D 3D TSV
31569004	18	Discovery of 2-aminopyridines bearing a pyridone moiety as potent ALK inhibitors to overcome the crizotinib-resistant mutants.	Eur J Med Chem 183: (2019)	Zhejiang University	2D 3D TSV
31566384	134	Development of Chemical Entities Endowed with Potent Fast-Killing Properties against	J Med Chem 62: 9217-9235 (2019)	GlaxoSmithKline	2D 3D TSV
31564385	17	Divalent cannabinoid-1 receptor ligands: A linker attachment point survey of SR141716A for development of high-affinity CB1R molecular probes.	Bioorg Med Chem Lett 29: (2019)	University of Auckland	2D 3D TSV
31563807	63	Discovery of novel, potent, isosteviol-based antithrombotic agents.	Eur J Med Chem 183: (2019)	Peking University	2D 3D TSV
31563013	69	Synthesis, anticancer activity, and molecular modeling of 1,4-naphthoquinones that inhibit MKK7 and Cdc25.	Eur J Med Chem 183: (2019)	Montana State University	2D 3D TSV
31563012	4	Ellagic acid a multi-target bioactive compound for drug discovery in CNS? A narrative review.	Eur J Med Chem 183: (2019)	University of Genoa	2D 3D TSV
31561938	64	Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement.	Bioorg Med Chem 27: (2019)	Universidade de S£o Paulo	2D 3D TSV
31561937	32	Recent advances in class IIa histone deacetylases research.	Bioorg Med Chem 27: (2019)	Heinrich-Heine-Universit£t D£sseldorf	2D 3D TSV
31561044	63	Discovery of new small molecule inhibitors targeting isocitrate dehydrogenase 1 (IDH1) with blood-brain barrier penetration.	Eur J Med Chem 183: (2019)	Chinese Academy of Sciences	2D 3D TSV
31560543	30	Simple Structural Modifications Converting a Bona fide MDM2 PROTAC Degrader into a Molecular Glue Molecule: A Cautionary Tale in the Design of PROTAC Degraders.	J Med Chem 62: 9471-9487 (2019)	TBA	2D 3D TSV
31560541	128	Discovery of a Furanopyrimidine-Based Epidermal Growth Factor Receptor Inhibitor (DBPR112) as a Clinical Candidate for the Treatment of Non-Small Cell Lung Cancer.	J Med Chem 62: 10108-10123 (2019)	National Health Research Institutes	2D 3D TSV
31560200	30	Selective Phenylimidazole-Based Inhibitors of the	J Med Chem 62: 9246-9253 (2019)	Weill Cornell Medicine	2D 3D TSV
31557612	15	Dihydroorotate dehydrogenase inhibitors in anti-infective drug research.	Eur J Med Chem 183: (2019)	University of Turin (UniTo)	2D 3D TSV
31557611	27	Design, synthesis and biological evaluation of N-(3-(1H-tetrazol-1-yl)phenyl)isonicotinamide derivatives as novel xanthine oxidase inhibitors.	Eur J Med Chem 183: (2019)	China Medical University	2D 3D TSV
31557608	3	Insights on the synthesis of asymmetric curcumin derivatives and their biological activities.	Eur J Med Chem 183: (2019)	Universiti Kuala Lumpur	2D 3D TSV
31557025	100	Trifluorinated Pyrimidine-Based A	J Med Chem 62: 9315-9330 (2019)	Uppsala University	2D 3D TSV
31556611	17	Discovery of Novel Aryl Carboxamide Derivatives as Hypoxia-Inducible Factor 1? Signaling Inhibitors with Potent Activities of Anticancer Metastasis.	J Med Chem 62: 9299-9314 (2019)	Anhui Medical University	2D 3D TSV
31553873	88	Anti-biofilm Agents against	J Med Chem 62: 9201-9216 (2019)	Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)	2D 3D TSV
31550662	109	Progress in the development of more effective and safer analgesics for pain management.	Eur J Med Chem 183: (2019)	University of Catania	2D 3D TSV
31550661	74	Heme Oxygenase-2 (HO-2) as a therapeutic target: Activators and inhibitors.	Eur J Med Chem 183: (2019)	University of Catania	2D 3D TSV
31550660	40	Design, synthesis and biological evaluation of novel 7H-pyrrolo[2,3-d]pyrimidine derivatives as potential FAK inhibitors and anticancer agents.	Eur J Med Chem 183: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31550156	43	A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.	J Med Chem 62: 9008-9025 (2019)	University of Oxford	2D 3D TSV
31550155	60	Aryl-fluorosulfate-based Lysine Covalent Pan-Inhibitors of Apoptosis Protein (IAP) Antagonists with Cellular Efficacy.	J Med Chem 62: 9188-9200 (2019)	TBA	2D 3D TSV
31550151	17	The Exploration of Chirality for Improved Druggability within the Human Kinome.	J Med Chem 63: 441-469 (2020)	University of Arkansas for Medical Sciences	2D 3D TSV
31550150	23	p97: An Emerging Target for Cancer, Neurodegenerative Diseases, and Viral Infections.	J Med Chem 63: 1892-1907 (2020)	TBA	2D 3D TSV
31549838	8	Discovery of an Extremely Potent Thiazine-Based ?-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.	J Med Chem 62: 9331-9337 (2019)	TBA	2D 3D TSV
31549836	54	Drugs for the Treatment of Zika Virus Infection.	J Med Chem 63: 470-489 (2020)	University of North Carolina at Chapel Hill	2D 3D TSV
31548084	28	Structure optimization of a new class of PPAR? antagonists.	Bioorg Med Chem 27: (2019)	Fraunhofer Institute for Molecular Biology and Applied Ecology IME	2D 3D TSV
31547945	88	Design, synthesis and biological evaluation of novel serotonin and dopamine receptor ligands being 6-bromohexyl saccharine derivatives.	Bioorg Med Chem Lett 29: (2019)	Cracow University of Technology	2D 3D TSV
31546197	1	1,2,3-Triazole-containing hybrids as potential anticancer agents: Current developments, action mechanisms and structure-activity relationships.	Eur J Med Chem 183: (2019)	Guizhou University of Traditional Chinese Medicine	2D 3D TSV
31543303	17	Rational discovery of a highly novel and selective mTOR inhibitor.	Bioorg Med Chem Lett 29: (2019)	Takeda California	2D 3D TSV
31542715	112	Synthesis of coumarin-sulfonamide derivatives and determination of their cytotoxicity, carbonic anhydrase inhibitory and molecular docking studies.	Eur J Med Chem 183: (2019)	Bezmialem Vakif University	2D 3D TSV
31542713	2	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.	Eur J Med Chem 183: (2019)	University of Modena and Reggio Emilia	2D 3D TSV
31541870	2	Design and synthesis of (2-(phenylamino)thieno[3,2-d]pyrimidin-4-yl)(3,4,5-trimethoxyphenyl)methanone analogues as potent anti-tubulin polymerization agents.	Eur J Med Chem 183: (2019)	Peking University	2D 3D TSV
31541869	12	Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries.	Eur J Med Chem 183: (2019)	Shandong University	2D 3D TSV
31539780	2	Polygala tenuifolia-Acori tatarinowii herbal pair as an inspiration for substituted cinnamic ?-asaronol esters: Design, synthesis, anticonvulsant activity, and inhibition of lactate dehydrogenase study.	Eur J Med Chem 183: (2019)	Northwest University	2D 3D TSV
31539778	58	New oxadiazoles with selective-COX-2 and EGFR dual inhibitory activity: Design, synthesis, cytotoxicity evaluation and in silico studies.	Eur J Med Chem 183: (2019)	Cairo University	2D 3D TSV
31539777	92	Continued exploration and tail approach synthesis of benzenesulfonamides containing triazole and dual triazole moieties as carbonic anhydrase I, II, IV and IX inhibitors.	Eur J Med Chem 183: (2019)	Kurukshetra University	2D 3D TSV
31539239	33	Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and	J Med Chem 62: 9026-9044 (2019)	The University of Jordan	2D 3D TSV
31537425	11	Design, synthesis and evaluation of activity and pharmacokinetic profile of new derivatives of xanthone and piperazine in the central nervous system.	Bioorg Med Chem Lett 29: (2019)	Jagiellonian University Medical College	2D 3D TSV
31537424	24	Discovery of a novel 3,4-dimethylcinnoline carboxamide M	Bioorg Med Chem Lett 29: (2019)	Vanderbilt University	2D 3D TSV
31537422	34	1,3,4-Oxadiazol-2-ylbenzenesulfonamides as privileged structures for the inhibition of monoamine oxidase B.	Bioorg Med Chem Lett 29: (2019)	Ushinsky Yaroslavl State Pedagogical University	2D 3D TSV
31536895	27	Indole: A privileged scaffold for the design of anti-cancer agents.	Eur J Med Chem 183: (2019)	Hunan University of Science and Technology	2D 3D TSV
31536894	50	Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.	Eur J Med Chem 183: (2019)	Yale University	2D 3D TSV
31536893	10	Sulfide, sulfoxide and sulfone bridged acyclic nucleoside phosphonates as inhibitors of the Plasmodium falciparum and human 6-oxopurine phosphoribosyltransferases: Synthesis and evaluation.	Eur J Med Chem 183: (2019)	The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences	2D 3D TSV
31536891	13	Potent combretastatin A-4 analogs containing 1,2,4-triazole: Synthesis, antiproliferative, anti-tubulin activity, and docking study.	Eur J Med Chem 183: (2019)	Minia University	2D 3D TSV
31536340	44	SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.	J Med Chem 62: 9438-9449 (2019)	University of California	2D 3D TSV
31532662	19	Discovery of GSK3527497: A Candidate for the Inhibition of Transient Receptor Potential Vanilloid-4 (TRPV4).	J Med Chem 62: 9270-9280 (2019)	GlaxoSmithKline	2D 3D TSV
31532644	8	Synthesis and Pharmacological Characterization of 2-(2,6-Dichlorophenyl)-1-((1	J Med Chem 62: 8711-8732 (2019)	AMRI UK Ltd	2D 3D TSV
31532206	26	Development of High-Throughput Fluorescent-Based Screens to Accelerate Discovery of P2X Inhibitors from Animal Venoms.	J Nat Prod 82: 2559-2567 (2019)	University of East Anglia	2D 3D TSV
31532203	24	Cinerols, Nitrogenous Meroterpenoids from the Marine Sponge	J Nat Prod 82: 2586-2593 (2019)	Shanghai Jiao Tong University	2D 3D TSV
31531209	20	?-Fluorofentanyls Are pH-Sensitive Mu Opioid Receptor Agonists.	ACS Med Chem Lett 10: 1353-1356 (2019)	Marquette University	2D 3D TSV
31531208	46	A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences.	ACS Med Chem Lett 10: 1346-1352 (2019)	Goethe-University Frankfurt	2D 3D TSV
31531207	6	Photoswitchable Inhibitor of the Calcium Channel TRPV6.	ACS Med Chem Lett 10: 1341-1345 (2019)	University of Bern	2D 3D TSV
31531206	2	Fluorinated Analogues of the Histone Deacetylase Inhibitor Vorinostat (Zolinza): Validation of a Chiral Hybrid Bioisostere, BITE.	ACS Med Chem Lett 10: 1336-1340 (2019)	University of Munster	2D 3D TSV
31531204	14	Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.	ACS Med Chem Lett 10: 1322-1327 (2019)	AstraZeneca	2D 3D TSV
31531201	37	Discovery of	ACS Med Chem Lett 10: 1302-1308 (2019)	Amgen Inc.	2D 3D TSV
31531200	34	Systematically Mitigating the p38? Activity of Triazole-based BET Inhibitors.	ACS Med Chem Lett 10: 1296-1301 (2019)	University of Minnesota Twin Cities	2D 3D TSV
31531198	24	Synthesis and Bioactivity of the Alanyl Phosphonamidate Stereoisomers Derived from a Butyrophilin Ligand.	ACS Med Chem Lett 10: 1284-1289 (2019)	University of Iowa	2D 3D TSV
31531195	6	Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2.	ACS Med Chem Lett 10: 1266-1271 (2019)	Universidade Estadual de Campinas (UNICAMP)	2D 3D TSV
31531194	30	Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).	ACS Med Chem Lett 10: 1260-1265 (2019)	Genentech	2D 3D TSV
31531192	6	PROTAC Degradation of IRAK4 for the Treatment of Neurodegenerative and Cardiovascular Diseases.	ACS Med Chem Lett 10: 1251-1252 (2019)	Usona Institute	2D 3D TSV
31531191	10	Triazolo Pyridines Useful as Inhibitors of ?-Secretase and Their Methods of Use.	ACS Med Chem Lett 10: 1249-1250 (2019)	Temple University School of Pharmacy	2D 3D TSV
31531190	10	Sodium Channel Modulators and Their Method of Use.	ACS Med Chem Lett 10: 1247-1248 (2019)	Temple University School of Pharmacy	2D 3D TSV
31531189	12	Modulators of KEAP-1 Activity as Potential Therapies for the Treatment of Neurodegenerative Disorders.	ACS Med Chem Lett 10: 1245-1246 (2019)	Temple University School of Pharmacy	2D 3D TSV
31531188	14	Triazolo-azepine Inhibitors of ?-Secretase and Their Methods of Use.	ACS Med Chem Lett 10: 1243-1244 (2019)	Temple University School of Pharmacy	2D 3D TSV
31526973	49	[1]Benzothieno[3,2-d]pyrimidine derivatives as ligands for the serotonergic 5-HT	Eur J Med Chem 183: (2019)	Universit£ di Catania	2D 3D TSV
31526603	379	Structure-based rational design of staurosporine-based fluorescent probe with broad-ranging kinase affinity for kinase panel application.	Bioorg Med Chem Lett 29: (2019)	Takeda Pharmaceutical Company Limited	2D 3D TSV
31526003	158	Investigation of Novel Primary and Secondary Pharmacophores and 3-Substitution in the Linking Chain of a Series of Highly Selective and Bitopic Dopamine D	J Med Chem 62: 9061-9077 (2019)	National Institute on Drug Abuse-Intramural Research Program	2D 3D TSV
31525968	170	Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective Na	J Med Chem 62: 9618-9641 (2019)	Xenon Pharmaceuticals Inc.	2D 3D TSV
31525966	22	Inhibition of the Cytolytic Protein Perforin Prevents Rejection of Transplanted Bone Marrow Stem Cells in Vivo.	J Med Chem 63: 2229-2239 (2020)	University of Auckland	2D 3D TSV
31525963	42	Pyroglutamide-Based P2X7 Receptor Antagonists Targeting Inflammatory Bowel Disease.	J Med Chem 63: 2074-2094 (2020)	Universit£ de Lille	2D 3D TSV
31525930	22	Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1).	J Med Chem 62: 8784-8795 (2019)	SIB Swiss Institute of Bioinformatics	2D 3D TSV
31521478	2	Antibacterial activity of 2-amino-4-hydroxypyrimidine-5-carboxylates and binding to Burkholderia pseudomallei 2-C-methyl-d-erythritol-2,4-cyclodiphosphate synthase.	Bioorg Med Chem Lett 29: (2019)	Northern Illinois University	2D 3D TSV
31521475	205	Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.	Bioorg Med Chem Lett 29: (2019)	GlaxoSmithKline	2D 3D TSV
31521459	95	The discovery and optimization of a series of 2-aminobenzoxazole derivatives as ChemR23 inhibitors.	Bioorg Med Chem 27: (2019)	Kyowa Kirin Co., Ltd.	2D 3D TSV
31521458	40	Synthesis and biological evaluation of calycanthaceous alkaloid analogs.	Bioorg Med Chem 27: (2019)	Jiangsu University of Science and Technology	2D 3D TSV
31521028	67	Immunoproteasome-selective inhibitors: An overview of recent developments as potential drugs for hematologic malignancies and autoimmune diseases.	Eur J Med Chem 182: (2019)	Hangzhou Xixi Hospital	2D 3D TSV
31520926	28	Discovery of a potent p38?/MAPK14 kinase inhibitor: Synthesis, in vitro/in vivo biological evaluation, and docking studies.	Eur J Med Chem 183: (2019)	University of Sharjah	2D 3D TSV
31519378	1	C-terminal modulators of heat shock protein of 90?kDa (HSP90): State of development and modes of action.	Bioorg Med Chem 27: (2019)	Heinrich Heine University D£sseldorf	2D 3D TSV
31519374	40	Discovery of potent and orally bioavailable indazole-based glucagon receptor antagonists for the treatment of type 2 diabetes.	Bioorg Med Chem Lett 29: (2019)	Janssen Research & Development, L.L.C.	2D 3D TSV
31519373	67	Benzothiazole-based compounds as potent endothelial lipase inhibitors.	Bioorg Med Chem Lett 29: (2019)	Bristol-Myers Squibb	2D 3D TSV
31518969	59	Development of novel multipotent compounds modulating endocannabinoid and dopaminergic systems.	Eur J Med Chem 183: (2019)	University of Siena	2D 3D TSV
31518122	2	The Rise of Molecules Able To Regenerate the Central Nervous System.	J Med Chem 63: 490-511 (2020)	Universit£ Grenoble Alpes	2D 3D TSV
31515058	80	Synthesis and exploration of 2-morpholino-4-phenylthiazol-5-yl acrylamide derivatives for their effects against carbonic anhydrase I, II, IX and XII isoforms as a non-sulfonamide class of inhibitors.	Bioorg Med Chem 27: (2019)	National Institute of Pharmaceutical Education and Research (NIPER)	2D 3D TSV
31515057	20	Highly hydrophilic 1,3-oxazol-5-yl benzenesulfonamide inhibitors of carbonic anhydrase II for reduction of glaucoma-related intraocular pressure.	Bioorg Med Chem 27: (2019)	Saint Petersburg State University	2D 3D TSV
31514062	80	Recent advances in the development of cyclin-dependent kinase 7 inhibitors.	Eur J Med Chem 183: (2019)	Tianjin University of Science and Technology	2D 3D TSV
31514061	35	Synthesis of benzotriazoles derivatives and their dual potential as ?-amylase and ?-glucosidase inhibitors in vitro: Structure-activity relationship, molecular docking, and kinetic studies.	Eur J Med Chem 183: (2019)	University of Karachi	2D 3D TSV
31514019	43	Activity of 2,6,9-trisubstituted purines as potent PDGFR? kinase inhibitors with antileukaemic activity.	Eur J Med Chem 182: (2019)	Palack£ University and Institute of Experimental Botany	2D 3D TSV
31514018	41	Discovery of potent 4-aminoquinoline hydrazone inhibitors of NRH:quinoneoxidoreductase-2 (NQO2).	Eur J Med Chem 182: (2019)	University of Manchester	2D 3D TSV
31513411	41	Identification of a Unique Resorcylic Acid Lactone Derivative That Targets Both Lymphangiogenesis and Angiogenesis.	J Med Chem 62: 9141-9160 (2019)	Korea University	2D 3D TSV
31513410	20	Design and Biological Evaluation of	J Med Chem 62: 8773-8783 (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31509708	81	Targeting the ?-Aminobutyric Acid Type B (GABA	J Med Chem 62: 8819-8830 (2019)	University of Copenhagen	2D 3D TSV
31505928	17	Potential Tools for Eradicating HIV Reservoirs in the Brain: Development of Trojan Horse Prodrugs for the Inhibition of P-Glycoprotein with Anti-HIV-1 Activity.	J Med Chem 63: 2131-2138 (2020)	Purdue University	2D 3D TSV
31505452	51	A fluorine scan on the Zn	Eur J Med Chem 182: (2019)	Fudan University	2D 3D TSV
31505451	9	Discovery and synthesis of 3- and 21-substituted fusidic acid derivatives as reversal agents of P-glycoprotein-mediated multidrug resistance.	Eur J Med Chem 182: (2019)	Yantai University	2D 3D TSV
31502843	2	Structural Characterization of Agonist Binding to an A	J Med Chem 62: 8831-8846 (2019)	National and Kapodistrian University of Athens	2D 3D TSV
31499361	28	Recent advances in the targeting of human DNA ligase I as a potential new strategy for cancer treatment.	Eur J Med Chem 182: (2019)	University of Allahabad	2D 3D TSV
31499359	1	Design, synthesis, and biological evaluation of novel benzodiazepine derivatives as anticancer agents through inhibition of tubulin polymerization in vitro and in vivo.	Eur J Med Chem 182: (2019)	The Second Affiliated Hospital of Guangzhou University of Chinese Medicine	2D 3D TSV
31499358	4	14- and 15-membered lactone macrolides and their analogues and hybrids: structure, molecular mechanism of action and biological activity.	Eur J Med Chem 182: (2019)	Adam Mickiewicz University	2D 3D TSV
31498617	29	Discovery of Benzamidine- and 1-Aminoisoquinoline-Based Human MAS-Related G-Protein-Coupled Receptor X1 (MRGPRX1) Agonists.	J Med Chem 62: 8631-8641 (2019)	Eisai Co., Ltd.	2D 3D TSV
31497963	2	Designing around Structural Alerts in Drug Discovery.	J Med Chem 63: 6276-6302 (2020)	Pfizer Inc.	2D 3D TSV
31497959	48	Discovery of an Orally Bioavailable Pan ?v Integrin Inhibitor for Idiopathic Pulmonary Fibrosis.	J Med Chem 62: 8796-8808 (2019)	GlaxoSmithKline Medicines Research Centre	2D 3D TSV
31496251	31	Structure-Reactivity Relationships on Substrates and Inhibitors of the Lysine Deacylase Sirtuin 2 from	J Med Chem 62: 8733-8759 (2019)	University of Freiburg	2D 3D TSV
31495556	9	In vitro cytotoxicity screening to identify novel anti-osteosarcoma therapeutics targeting pyruvate dehydrogenase kinase 2.	Bioorg Med Chem Lett 29: (2019)	Capital Medical University	2D 3D TSV
31494475	5	Natural products as important tyrosine kinase inhibitors.	Eur J Med Chem 182: (2019)	Southwest Jiaotong University	2D 3D TSV
31494471	15	Natural dimers of coumarin, chalcones, and resveratrol and the link between structure and pharmacology.	Eur J Med Chem 182: (2019)	Nagasaki International University	2D 3D TSV
31494470	69	Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.	Eur J Med Chem 182: (2019)	Dalian Medical University	2D 3D TSV
31494468	61	Design, synthesis and biological evaluation of stereo- and regioisomers of amino aryl esters as multidrug resistance (MDR) reversers.	Eur J Med Chem 182: (2019)	University of Florence	2D 3D TSV
31494467	196	Identification and characterization of benzo[d]oxazol-2(3H)-one derivatives as the first potent and selective small-molecule inhibitors of chromodomain protein CDYL.	Eur J Med Chem 182: (2019)	Peking University	2D 3D TSV
31493989	14	Synthesis, biological evaluation and molecular docking of 4-Amino-2H-benzo[h]chromen-2-one (ABO) analogs containing the piperazine moiety.	Bioorg Med Chem 27: (2019)	Luoyang Normal University	2D 3D TSV
31493745	12	Recent advancements in mechanistic studies and structure activity relationship of F	Eur J Med Chem 182: (2019)	Kurukshetra University	2D 3D TSV
31493744	3	Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies.	Eur J Med Chem 182: (2019)	The Hong Kong Polytechnic University	2D 3D TSV
31493743	32	Design, synthesis and biological evaluation of a new series of thiazolyl-pyrazolines as dual EGFR and HER2 inhibitors.	Eur J Med Chem 182: (2019)	Anadolu University	2D 3D TSV
31492533	15	Synthesis, biological activities, and docking studies of d-pantolactone derivatives as novel FAS inhibitors.	Bioorg Med Chem 27: (2019)	Third Institute of Oceanography	2D 3D TSV
31492532	48	An exploration of solvent-front region high affinity moiety leading to novel potent ALK & ROS1 dual inhibitors with mutant-combating effects.	Bioorg Med Chem 27: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31492518	40	Discovery of novel steroidal histamine H	Bioorg Med Chem Lett 29: (2019)	Chemical Works of Gedeon Richter Plc	2D 3D TSV
31490070	58	Structure-Based Discovery and Development of a Series of Potent and Selective Bromodomain and Extra-Terminal Protein Inhibitors.	J Med Chem 62: 8642-8663 (2019)	University of Chinese Academy of Sciences	2D 3D TSV
31488358	8	Novel promising 4-anilinoquinazoline-based derivatives as multi-target RTKs inhibitors: Design, molecular docking, synthesis, and antitumor activities in vitro and vivo.	Bioorg Med Chem 27: (2019)	Beijing Normal University	2D 3D TSV
31488357	19	Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors.	Bioorg Med Chem 27: (2019)	Universitat de Barcelona	2D 3D TSV
31487175	195	Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.	J Med Chem 62: 10062-10097 (2019)	Merck & Co.	2D 3D TSV
31483660	20	Competitive Binding Assay with an Umbelliferone-Based Fluorescent Rexinoid for Retinoid X Receptor Ligand Screening.	J Med Chem 62: 8809-8818 (2019)	Okayama University Graduate School of Medicine	2D 3D TSV
31479975	25	Neurobehavioral investigation and acetylcholinesterase inhibitory activity study for some new coumarin derivatives.	Eur J Med Chem 182: (2019)	Cairo University	2D 3D TSV
31477350	80	Cyclin dependent kinase (CDK) inhibitors as anticancer drugs: Recent advances (2015-2019).	Bioorg Med Chem Lett 29: (2019)	Eli Lilly and Company	2D 3D TSV
31476557	164	From random to rational: A discovery approach to selective subnanomolar inhibitors of human carbonic anhydrase IV based on the Castagnoli-Cushman multicomponent reaction.	Eur J Med Chem 182: (2019)	Saint Petersburg State University	2D 3D TSV
31474484	20	GAC inhibitors with a 4-hydroxypiperidine spacer: Requirements for potency.	Bioorg Med Chem Lett 29: (2019)	University of Pittsburgh	2D 3D TSV
31474482	5	?-Hydroxy isoprenoid bisphosphonates as linkable GGDPS inhibitors.	Bioorg Med Chem Lett 29: (2019)	University of Iowa	2D 3D TSV
31472474	53	Discovery of dual-acting opioid ligand and TRPV1 antagonists as novel therapeutic agents for pain.	Eur J Med Chem 182: (2019)	Seoul National University	2D 3D TSV
31472471	158	Structure-activity relationship with pyrazoline-based aromatic sulfamates as carbonic anhydrase isoforms I, II, IX and XII inhibitors: Synthesis and biological evaluation.	Eur J Med Chem 182: (2019)	University of Cagliari	2D 3D TSV
31471167	4	Potent bicyclic inhibitors of malarial cGMP-dependent protein kinase: approaches to combining improvements in cell potency, selectivity and structural novelty.	Bioorg Med Chem Lett 29: (2019)	LifeArc	2D 3D TSV
31471103	6	Novel lipid side chain modified exenatide analogs emerged prolonged glucoregulatory activity and potential body weight management properties.	Bioorg Med Chem 27: (2019)	China Pharmaceutical University	2D 3D TSV
31471102	1	Novel thiazolidines: Synthesis, antiproliferative properties and 2D-QSAR studies.	Bioorg Med Chem 27: (2019)	University of Texas-Arlington	2D 3D TSV
31469962	122	Identification of Novel Resorcinol Amide Derivatives as Potent and Specific Pyruvate Dehydrogenase Kinase (PDHK) Inhibitors.	J Med Chem 62: 8461-8479 (2019)	Korea University	2D 3D TSV
31469560	20	Indole-Diterpenoids with Protein Tyrosine Phosphatase Inhibitory Activities from the Marine-Derived Fungus	J Nat Prod 82: 2638-2644 (2019)	Hebei University	2D 3D TSV
31469288	180	[	J Med Chem 62: 8338-8356 (2019)	University of Regensburg	2D 3D TSV
31466835	3	Optimization and anti-inflammatory evaluation of methyl gallate derivatives as a myeloid differentiation protein 2 inhibitor.	Bioorg Med Chem 27: (2019)	Wenzhou Medical University	2D 3D TSV
31466809	10	Design, synthesis, and biological evaluation of 4-((6,7-dimethoxyquinoline-4-yl)oxy)aniline derivatives as FLT3 inhibitors for the treatment of acute myeloid leukemia.	Bioorg Med Chem Lett 29: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31465686	355	Triazole Bridged Flavonoid Dimers as Potent, Nontoxic, and Highly Selective Breast Cancer Resistance Protein (BCRP/ABCG2) Inhibitors.	J Med Chem 62: 8578-8608 (2019)	Hong Kong Polytechnic University	2D 3D TSV
31465225	28	Myxochelin- and Pseudochelin-Derived Lipoxygenase Inhibitors from a Genetically Engineered	J Nat Prod 82: 2544-2549 (2019)	Institute for Natural Product Research and Infection Biology e.V.	2D 3D TSV
31465220	139	A Conformational Restriction Strategy for the Identification of a Highly Selective Pyrimido-pyrrolo-oxazine mTOR Inhibitor.	J Med Chem 62: 8609-8630 (2019)	University of Basel	2D 3D TSV
31461688	108	Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.	Eur J Med Chem 182: (2019)	University of Chinese Academy of Sciences	2D 3D TSV
31461285	1	Myrmenaphthol A, Isolated from a Hawaiian Sponge of the Genus	J Nat Prod 82: 2668-2671 (2019)	University of Hawaii at Manoa	2D 3D TSV
31454231	2	Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-?-Lactamases.	J Med Chem 62: 8544-8556 (2019)	University of Oxford	2D 3D TSV
31453698	97	Antioxidant-Conjugated 1,2,4-Triazolo[4,3-	J Med Chem 62: 8511-8531 (2019)	Universit£ degli Studi di Firenze	2D 3D TSV
31449405	7	Glycocluster Tetrahydroxamic Acids Exhibiting Unprecedented Inhibition of	J Med Chem 62: 7722-7738 (2019)	CNRS-Universit£ de Picardie Jules Verne	2D 3D TSV
31447248	4	A rational search for discovering potential neutraligands of human complement fragment 5a (	Bioorg Med Chem 27: (2019)	Indian Institute of Technology Bhubaneswar	2D 3D TSV
31447082	9	Structural tuning of acridones for developing anticancer agents targeting dihydrofolate reductase.	Bioorg Med Chem Lett 29: (2019)	Guru Nanak Dev University	2D 3D TSV
31446244	70	Development of novel chromeno[4,3-c]pyrazol-4(2H)-one derivates bearing sulfonylpiperazine as antitumor inhibitors targeting PI3K?.	Eur J Med Chem 182: (2019)	School of Traditional Chinese Pharmacy	2D 3D TSV
31445854	43	Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.	Bioorg Med Chem Lett 29: (2019)	Bristol-Myers Squibb Company	2D 3D TSV
31445853	35	Synthesis and characterization of novel isoform-selective IP6K1 inhibitors.	Bioorg Med Chem Lett 29: (2019)	Johns Hopkins University School of Medicine	2D 3D TSV
31445234	42	Discovery of potent p38? MAPK inhibitors through a funnel like workflow combining in silico screening and in vitro validation.	Eur J Med Chem 182: (2019)	University of Perugia	2D 3D TSV
31445233	10	Cyclic enaminone as new chemotype for selective cyclooxygenase-2 inhibitory, anti-inflammatory, and analgesic activities.	Eur J Med Chem 182: (2019)	National Institute of Pharmaceutical Education and Research (NIPER)	2D 3D TSV
31445232	78	Design of fluorinated cyclopropane derivatives of 2-phenylcyclopropylmethylamine leading to identification of a selective serotonin 2C (5-HT	Eur J Med Chem 182: (2019)	University of Illinois at Chicago	2D 3D TSV
31445231	56	Discovery of phosphonamidate IDO1 inhibitors for the treatment of non-small cell lung cancer.	Eur J Med Chem 182: (2019)	Nanjing Medical University	2D 3D TSV
31445230	7	Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.	Eur J Med Chem 182: (2019)	The University of Queensland	2D 3D TSV
31445229	9	Pyrazolo-benzothiazole hybrids: Synthesis, anticancer properties and evaluation of antiangiogenic activity using in vitro VEGFR-2 kinase and in vivo transgenic zebrafish model.	Eur J Med Chem 182: (2019)	Academy of Scientific and Innovative Research (AcSIR)	2D 3D TSV
31444087	90	Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).	Bioorg Med Chem Lett 29: (2019)	Zoetis	2D 3D TSV
31444085	85	The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease.	Bioorg Med Chem Lett 29: (2019)	Guizhou Medical University	2D 3D TSV
31442685	7	Discovery of novel functionalized 1,2,4-triazoles as PARP-1 inhibitors in breast cancer: Design, synthesis and antitumor activity evaluation.	Eur J Med Chem 182: (2019)	Suez Canal University	2D 3D TSV
31442684	43	Chromenone derivatives as a versatile scaffold with dual mode of inhibition of HIV-1 reverse transcriptase-associated Ribonuclease H function and integrase activity.	Eur J Med Chem 182: (2019)	University of Cagliari	2D 3D TSV
31442049	39	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-	J Med Chem 62: 7788-7805 (2019)	Singapore-MIT Alliance for Research and Technology	2D 3D TSV
31439379	9	Design, synthesis and biological evaluation of benzamide derivatives as novel NTCP inhibitors that induce apoptosis in HepG2 cells.	Bioorg Med Chem Lett 29: (2019)	Southwest Jiaotong University	2D 3D TSV
31437780	73	Discovery of novel series of 2-substituted benzo[d]oxazol-5-amine derivatives as multi-target directed ligands for the treatment of Alzheimer's disease.	Eur J Med Chem 182: (2019)	Indian Institute of Technology (Banaras Hindu University)	2D 3D TSV
31437392	17	Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors.	J Med Chem 62: 7910-7922 (2019)	Leiden University	2D 3D TSV
31436984	54	Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain.	J Med Chem 62: 8443-8460 (2019)	Goethe-University Frankfurt	2D 3D TSV
31434616	32	Synthesis and biological evaluation of 4-(piperid-3-yl)amino substituted 6-pyridylquinazolines as potent PI3K? inhibitors.	Bioorg Med Chem 27: (2019)	Xi'an Jiaotong University	2D 3D TSV
31434041	12	Discovery of fused heterocyclic carboxamide derivatives as novel ?7-nAChR agonists: Synthesis, preliminary SAR and biological evaluation.	Eur J Med Chem 182: (2019)	Peking University	2D 3D TSV
31434040	3	Synthesis, structure-activity relationship and trypanocidal activity of pyrazole-imidazoline and new pyrazole-tetrahydropyrimidine hybrids as promising chemotherapeutic agents for Chagas disease.	Eur J Med Chem 182: (2019)	Instituto Oswaldo Cruz	2D 3D TSV
31434039	5	Discovery of novel indolylarylsulfones as potent HIV-1 NNRTIs via structure-guided scaffold morphing.	Eur J Med Chem 182: (2019)	Shandong University	2D 3D TSV
31433188	22	Cholinesterase Inhibitory Arisugacins L-Q from a	J Nat Prod 82: 2627-2637 (2019)	Institute for Natural Products Applications and Research Technologies	2D 3D TSV
31431359	24	Correlation of indoleamine-2,3-dioxigenase 1 inhibitory activity of 4,6-disubstituted indazole derivatives and their heme binding affinity.	Bioorg Med Chem Lett 29: (2019)	Osaka University	2D 3D TSV
31431326	63	Novel ?,?-unsaturated hydroxamic acid derivatives overcome cisplatin resistance.	Bioorg Med Chem 27: (2019)	Heinrich-Heine-University D£sseldorf	2D 3D TSV
31430155	48	Dehydroabietylamine Ureas and Thioureas as Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Enhance the Antitumor Effect of Temozolomide on Glioblastoma Cells.	J Nat Prod 82: 2443-2450 (2019)	Siberian Branch of the Russian Academy of Sciences	2D 3D TSV
31430136	118	2-Aminomethylene-5-sulfonylthiazole Inhibitors of Lysyl Oxidase (LOX) and LOXL2 Show Significant Efficacy in Delaying Tumor Growth.	J Med Chem 63: 2308-2324 (2020)	University of Manchester	2D 3D TSV
31429569	4	Labdanes, Withanolides, and Other Constituents from	J Nat Prod 82: 2489-2500 (2019)	Universidad Nacional Aut£noma de M£xico	2D 3D TSV
31429553	79	Lead Optimization Yields High Affinity Frizzled 7-Targeting Peptides That Modulate	J Med Chem 62: 7739-7750 (2019)	TBA	2D 3D TSV
31427145	16	Synthesis, biological evaluation and molecular modeling of novel selective COX-2 inhibitors: sulfide, sulfoxide, and sulfone derivatives of 1,5-diarylpyrrol-3-substituted scaffold.	Bioorg Med Chem 27: (2019)	Universit£ di Siena	2D 3D TSV
31425906	52	Discovery of aryl-substituted indole and indoline derivatives as ROR?t agonists.	Eur J Med Chem 182: (2019)	Fudan University	2D 3D TSV
31423787	77	How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using	J Med Chem 63: 2095-2113 (2020)	Johannes Gutenberg-Universit£t Mainz	2D 3D TSV
31422225	1	Galloyl esters of trans-stilbenes are inhibitors of FASN with anticancer activity on non-small cell lung cancer cells.	Eur J Med Chem 182: (2019)	National University of Singapore	2D 3D TSV
31422224	11	Synthesis and in vitro evaluation of piperazinyl-ureido sulfamates as steroid sulfatase inhibitors.	Eur J Med Chem 182: (2019)	University of Cagliari	2D 3D TSV
31421967	17	Design, synthesis and biological evaluation of 3,5-dimethylisoxazole and pyridone derivatives as BRD4 inhibitors.	Bioorg Med Chem Lett 29: (2019)	Sichuan University	2D 3D TSV
31421966	20	Rasagiline derivatives combined with histamine H	Bioorg Med Chem Lett 29: (2019)	Heinrich Heine University D£sseldorf	2D 3D TSV
31421633	8	Conformational restriction design of thiophene-biphenyl-DAPY HIV-1 non-nucleoside reverse transcriptase inhibitors.	Eur J Med Chem 182: (2019)	Fudan University	2D 3D TSV
31421630	81	Hitting on the move: Targeting intrinsically disordered protein states of the MDM2-p53 interaction.	Eur J Med Chem 182: (2019)	University of Groningen	2D 3D TSV
31420268	21	Discovery of small molecule inhibitors of human uridine-cytidine kinase 2 by high-throughput screening.	Bioorg Med Chem Lett 29: 2559-2564 (2019)	Stanford University	2D 3D TSV
31420257	16	Fluorescent analogs of peptoid-based HDAC inhibitors: Synthesis, biological activity and cellular uptake kinetics.	Bioorg Med Chem 27: (2019)	Leipzig University	2D 3D TSV
31420256	52	Identification of new dual FABP4/5 inhibitors based on a naphthalene-1-sulfonamide FABP4 inhibitor.	Bioorg Med Chem 27: (2019)	Fudan University	2D 3D TSV
31420255	14	Discovery and development of substituted thiadiazoles as inhibitors of Staphylococcus aureus Sortase A.	Bioorg Med Chem 27: (2019)	University of Gothenburg	2D 3D TSV
31419779	3	STING modulators: Predictive significance in drug discovery.	Eur J Med Chem 182: (2019)	Zhejiang Normal University	2D 3D TSV
31419777	68	Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.	Eur J Med Chem 182: (2019)	University of Florence	2D 3D TSV
31419776	14	Novel multi target-directed ligands targeting 5-HT	Eur J Med Chem 182: (2019)	Normandie Univ	2D 3D TSV
31419141	19	Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.	J Med Chem 62: 11022-11034 (2019)	Emory University School of Medicine	2D 3D TSV
31419132	66	First Nondiscriminating Translocator Protein Ligands Produced from a Carbazole Scaffold.	J Med Chem 62: 8235-8248 (2019)	Macquarie University	2D 3D TSV
31419130	69	Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK).	J Med Chem 62: 10927-10954 (2019)	Zhejiang University	2D 3D TSV
31418565	13	Synthesis and Evaluation of Novel TLR2 Agonists as Potential Adjuvants for Cancer Vaccines.	J Med Chem 63: 2282-2291 (2020)	University of Auckland	2D 3D TSV
31417666	55	Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase C? (PKC?) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis.	ACS Med Chem Lett 10: 1134-1139 (2019)	Vertex Pharmaceuticals Inc	2D 3D TSV
31416740	10	Design, Synthesis and Anticancer Evaluation of New Substituted Thiophene-Quinoline Derivatives.	Bioorg Med Chem 27: (2019)	Kyushu Institute of Technology1-1 Sensuicho	2D 3D TSV
31416738	38	Synthesis, molecular docking, and QSAR study of bis-sulfonamide derivatives as potential aromatase inhibitors.	Bioorg Med Chem 27: (2019)	Srinakharinwirot University	2D 3D TSV
31416667	24	Design and evaluation of pyrazolopyrimidines as KCNQ channel modulators.	Bioorg Med Chem Lett 29: (2019)	AbbVie Inc.	2D 3D TSV
31416666	13	Potent HIV-1 protease inhibitors incorporating squaramide-derived P2 ligands: Design, synthesis, and biological evaluation.	Bioorg Med Chem Lett 29: 2565-2570 (2019)	Purdue University	2D 3D TSV
31416665	31	Design of selective PI3K? inhibitors using an iterative scaffold-hopping workflow.	Bioorg Med Chem Lett 29: 2575-2580 (2019)	Merck & Co.	2D 3D TSV
31415981	37	Discovery of ?-sultone-fused pyrazoles for treating Alzheimer's disease: Design, synthesis, biological evaluation and SAR studies.	Eur J Med Chem 181: (2019)	Anhui Medical University	2D 3D TSV
31415980	68	Design, synthesis and preliminary bioactivity evaluations of 8-hydroxyquinoline derivatives as matrix metalloproteinase (MMP) inhibitors.	Eur J Med Chem 181: (2019)	Shandong University	2D 3D TSV
31415176	74	Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1	J Med Chem 62: 7769-7787 (2019)	Orexo AB	2D 3D TSV
31415174	44	Old but Gold: Tracking the New Guise of Histone Deacetylase 6 (HDAC6) Enzyme as a Biomarker and Therapeutic Target in Rare Diseases.	J Med Chem 63: 23-39 (2020)	University of Naples Federico II	2D 3D TSV
31415173	19	Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.	J Med Chem 62: 7669-7683 (2019)	Pfizer Inc.	2D 3D TSV
31414801	84	Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.	J Med Chem 62: 8557-8577 (2019)	University of Illinois at Chicago	2D 3D TSV
31413811	26	Iterative Optimization of the Cyclic Peptide SFTI-1 Yields Potent Inhibitors of Neutrophil Proteinase 3.	ACS Med Chem Lett 10: 1234-1239 (2019)	The University of Queensland	2D 3D TSV
31413810	32	Discovery of GSK2798745: A Clinical Candidate for Inhibition of Transient Receptor Potential Vanilloid 4 (TRPV4).	ACS Med Chem Lett 10: 1228-1233 (2019)	GlaxoSmithKline	2D 3D TSV
31413809	8	DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.	ACS Med Chem Lett 10: 1222-1227 (2019)	AstraZeneca	2D 3D TSV
31413808	16	Identification of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure-Activity Relationship Studies.	ACS Med Chem Lett 10: 1216-1221 (2019)	University of North Carolina at Greensboro	2D 3D TSV
31413806	65	Bis-benzoxaboroles: Design, Synthesis, and Biological Evaluation as Carbonic Anhydrase Inhibitors.	ACS Med Chem Lett 10: 1205-1210 (2019)	Universit£ de Montpellier	2D 3D TSV
31413800	36	Evaluation of a Series of ?-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads.	ACS Med Chem Lett 10: 1159-1165 (2019)	Janssen Research & Development	2D 3D TSV
31413799	18	Malabaricone C as Natural Sphingomyelin Synthase Inhibitor against Diet-Induced Obesity and Its Lipid Metabolism in Mice.	ACS Med Chem Lett 10: 1154-1158 (2019)	Hokkaido University	2D 3D TSV
31413796	21	Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor.	ACS Med Chem Lett 10: 1128-1133 (2019)	Novartis Institutes for Biomedical Research	2D 3D TSV
31413795	57	Design, Synthesis, and Biological Evaluation of 2,4-Imidazolinedione Derivatives as HDAC6 Isoform-Selective Inhibitors.	ACS Med Chem Lett 10: 1122-1127 (2019)	Shandong University	2D 3D TSV
31413794	2	Prodrug Activation by a Viral Protease: Evaluating Combretastatin Peptide Hybrids To Selectively Target Infected Cells.	ACS Med Chem Lett 10: 1115-1121 (2019)	Heidelberg University	2D 3D TSV
31413791	12	Inhibition of ACSS2 for Treatment of Cancer and Neuropsychiatric Diseases.	ACS Med Chem Lett 10: 1100-1101 (2019)	Usona Institute	2D 3D TSV
31413789	1	In Praise of Remarkably Powerful Centamolecular Therapeutic Agents.	ACS Med Chem Lett 10: 1094-1097 (2019)	Bristol-Myers Squibb Research and Development	2D 3D TSV
31411468	70	Discovery of Conformationally Restricted Human Glutaminyl Cyclase Inhibitors as Potent Anti-Alzheimer's Agents by Structure-Based Design.	J Med Chem 62: 8011-8027 (2019)	Seoul National University	2D 3D TSV
31411465	52	A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.	J Med Chem 62: 8028-8052 (2019)	University of Copenhagen	2D 3D TSV
31408808	12	Discovery of 4-piperazinyl-2-aminopyrimidine derivatives as dual inhibitors of JAK2 and FLT3.	Eur J Med Chem 181: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31408806	18	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.	Eur J Med Chem 181: (2019)	Chinese Academy of Medical Sciences and Peking Union Medical College	2D 3D TSV
31408339	28	Discovery of	J Med Chem 62: 8164-8177 (2019)	New England Discovery Partners	2D 3D TSV
31408335	36	Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor.	J Med Chem 62: 9983-9989 (2019)	ShanghaiTech University	2D 3D TSV
31408333	2	Germacrane Sesquiterpenoids as a New Type of Anticardiac Fibrosis Agent Targeting Transforming Growth Factor ? Type I Receptor.	J Med Chem 62: 7961-7975 (2019)	Sun Yat-Sen University	2D 3D TSV
31407888	4	New Approaches to Cancer Therapy: Combining Fatty Acid Amide Hydrolase (FAAH) Inhibition with Peroxisome Proliferator-Activated Receptors (PPARs) Activation.	J Med Chem 62: 10995-11003 (2019)	Universit£ degli Studi di Bari "Aldo Moro"	2D 3D TSV
31404864	11	Coumarin-containing hybrids and their anticancer activities.	Eur J Med Chem 181: (2019)	Tsinghua University	2D 3D TSV
31404862	138	Imidazopyridine-based selective and multifunctional ligands of biological targets associated with psychiatric and neurodegenerative diseases.	Eur J Med Chem 181: (2019)	Palack£ University	2D 3D TSV
31404860	5	Development of novel theranostic agents for in vivo amyloid imaging and protective effects on human neuroblastoma cells.	Eur J Med Chem 181: (2019)	Guangdong University of Technology	2D 3D TSV
31403795	24	Homotrimerization Approach in the Design of Thrombospondin-1 Mimetic Peptides with Improved Potency in Triggering Regulated Cell Death of Cancer Cells.	J Med Chem 62: 7656-7668 (2019)	Sorbonne Universit£	2D 3D TSV
31401538	11	Synthetic routes and structure-activity relationships (SAR) of anti-HIV agents: A key review.	Eur J Med Chem 181: (2019)	Wuhan University of Technology	2D 3D TSV
31401537	45	Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity.	Eur J Med Chem 181: (2019)	University of Florence	2D 3D TSV
31401536	1	Phenolic N-monosubstituted carbamates: Antitubercular and toxicity evaluation of multi-targeting compounds.	Eur J Med Chem 181: (2019)	Charles University	2D 3D TSV
31401465	52	Multi-target-directed-ligands acting as enzyme inhibitors and receptor ligands.	Eur J Med Chem 180: 690-706 (2019)	Julius Maximilian University of W£rzburg	2D 3D TSV
31401008	34	Synthesis and biological activity of structurally diverse phthalazine derivatives: A systematic review.	Bioorg Med Chem 27: 3979-3997 (2019)	Y. B. Chavan College of Pharmacy	2D 3D TSV
31400941	4	Discovery of 1,8-disubstituted-[1,2,3]triazolo[4,5-c]quinoline derivatives as a new class of Hippo signaling pathway inhibitors.	Bioorg Med Chem Lett 29: 2595-2603 (2019)	Sichuan University	2D 3D TSV
31400938	15	Anti-tumor activity evaluation of novel tubulin and HDAC dual-targeting inhibitors.	Bioorg Med Chem Lett 29: 2638-2645 (2019)	Qingdao University	2D 3D TSV
31400937	32	Exploring hydroxamic acid inhibitors of HDAC1 and HDAC2 using small molecule tools and molecular or homology modelling.	Bioorg Med Chem Lett 29: 2581-2586 (2019)	The University of Sydney	2D 3D TSV
31400711	29	Small molecule modulators targeting protein kinase CK1 and CK2.	Eur J Med Chem 181: (2019)	China Pharmaceutical University	2D 3D TSV
31400709	18	Identification of potent triazolylpyridine nicotinamide phosphoribosyltransferase (NAMPT) inhibitors bearing a 1,2,3-triazole tail group.	Eur J Med Chem 181: (2019)	Universit£ del Piemonte Orientale	2D 3D TSV
31400708	26	Novel electrophilic amides amenable by the Ugi reaction perturb thioredoxin system via thioredoxin reductase 1 (TrxR1) inhibition: Identification of DVD-445 as a new lead compound for anticancer therapy.	Eur J Med Chem 181: (2019)	University of Belgrade	2D 3D TSV
31400707	19	Design, synthesis and biological evaluation of novel vicinal diaryl-substituted 1H-Pyrazole analogues of combretastatin A-4 as highly potent tubulin polymerization inhibitors.	Eur J Med Chem 181: (2019)	Universit£ di Ferrara	2D 3D TSV
31400706	6	Identification of a new family of pyrazolo[3,4-d]pyrimidine derivatives as multitarget Fyn-Blk-Lyn inhibitors active on B- and T-lymphoma cell lines.	Eur J Med Chem 181: (2019)	University of Siena	2D 3D TSV
31400705	27	Discovery of benzimidazole analogs as a novel interleukin-5 inhibitors.	Eur J Med Chem 181: (2019)	Chungnam National University	2D 3D TSV
31398032	113	A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.	J Med Chem 62: 7506-7525 (2019)	Cellzome	2D 3D TSV
31395511	29	Structure-activity analysis of peptidic Chlamydia HtrA inhibitors.	Bioorg Med Chem 27: 4185-4199 (2019)	University of Otago	2D 3D TSV
31395509	43	Design, synthesis and biological evaluation of novel dithiocarbamate-substituted diphenylaminopyrimidine derivatives as BTK inhibitors.	Bioorg Med Chem 27: 4124-4142 (2019)	Peking University Health Science Center	2D 3D TSV
31394463	80	New anthranilic acid-incorporating N-benzenesulfonamidophthalimides as potent inhibitors of carbonic anhydrases I, II, IX, and XII: Synthesis, in vitro testing, and in silico assessment.	Eur J Med Chem 181: (2019)	King Saud University	2D 3D TSV
31393718	26	Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein ?.	J Med Chem 62: 7874-7884 (2019)	McGill University	2D 3D TSV
31393124	5	Bioactivatable Pseudotripeptidization of Cyclic Dipeptides To Increase the Affinity toward Oligopeptide Transporter 1 for Enhanced Oral Absorption: An Application to Cyclo(l-Hyp-l-Ser) (JBP485).	J Med Chem 62: 7708-7721 (2019)	Dalian Medical University	2D 3D TSV
31390523	56	Neuroactive Steroid	J Med Chem 62: 7526-7542 (2019)	SAGE Therapeutics	2D 3D TSV
31390201	47	Discovery of ?-Arrestin Biased, Orally Bioavailable, and CNS Penetrant Neurotensin Receptor 1 (NTR1) Allosteric Modulators.	J Med Chem 62: 8357-8363 (2019)	Sanford Burnham Prebys Medical Discovery Institute	2D 3D TSV
31389699	30	Proteolysis Targeting Chimeras for the Selective Degradation of Mcl-1/Bcl-2 Derived from Nonselective Target Binding Ligands.	J Med Chem 62: 8152-8163 (2019)	TBA	2D 3D TSV
31389695	47	4,8-Dimethylcoumarin Inhibitors of Intestinal Anion Exchanger slc26a3 (Downregulated in Adenoma) for Anti-Absorptive Therapy of Constipation.	J Med Chem 62: 8330-8337 (2019)	TBA	2D 3D TSV
31387791	60	Design, synthesis, and evaluation of N-(4-(4-phenyl piperazin-1-yl)butyl)-4-(thiophen-3-yl)benzamides as selective dopamine D	Bioorg Med Chem Lett 29: 2690-2694 (2019)	Temple University School of Pharmacy	2D 3D TSV
31387063	32	Design, synthesis and biological evaluation of novel 4-anilinoquinazoline derivatives as hypoxia-selective EGFR and VEGFR-2 dual inhibitors.	Eur J Med Chem 181: (2019)	Peking Union Medical College & Chinese Academy of Medical Sciences	2D 3D TSV
31387062	39	A computer-assisted discovery of novel potential anti-obesity compounds as selective carbonic anhydrase VA inhibitors.	Eur J Med Chem 181: (2019)	"Magna Gr£cia" University of Catanzaro	2D 3D TSV
31386368	27	HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.	J Med Chem 62: 8062-8079 (2019)	University of Massachusetts Medical School	2D 3D TSV
31386363	32	Synthesis and SAR Study of Carbamoyl Pyridone Bicycle Derivatives as Potent Inhibitors of Influenza Cap-dependent Endonuclease.	J Med Chem 62: 8101-8114 (2019)	Shionogi & Company	2D 3D TSV
31385706	9	The Development Process for Discovery and Clinical Advancement of Modern Antimalarials.	J Med Chem 62: 10526-10562 (2019)	The Walter and Eliza Hall Institute of Medical Research	2D 3D TSV
31385511	20	11-Aminostrychnine and	J Nat Prod 82: 2332-2336 (2019)	The German University in Cairo	2D 3D TSV
31383629	29	Preparation and biological evaluation of soluble tetrapeptide epoxyketone proteasome inhibitors.	Bioorg Med Chem 27: 4151-4162 (2019)	Nanjing Forestry University	2D 3D TSV
31383628	42	Novel multitarget 5-arylidenehydantoins with arylpiperazinealkyl fragment: Pharmacological evaluation and investigation of cytotoxicity and metabolic stability.	Bioorg Med Chem 27: 4163-4173 (2019)	Jagiellonian University Medical College	2D 3D TSV
31383589	6	Incorporation of a chiral gem-disubstituted nitrogen heterocycle yields an oxazolidinone antibiotic with reduced mitochondrial toxicity.	Bioorg Med Chem Lett 29: 2686-2689 (2019)	California Institute of Technology	2D 3D TSV
31383587	20	Discovery of novel PTHR1 antagonists: Design, synthesis, and structure activity relationships.	Bioorg Med Chem Lett 29: 2613-2616 (2019)	Daiichi Sankyo Co, Ltd	2D 3D TSV
31382120	4	Novel dual inhibitors targeting CDK4 and VEGFR2 synergistically suppressed cancer progression and angiogenesis.	Eur J Med Chem 181: (2019)	Nankai University	2D 3D TSV
31382119	45	Novel reverse thia-analogs of fosmidomycin: Synthesis and antiplasmodial activity.	Eur J Med Chem 181: (2019)	Heinrich Heine University D£sseldorf	2D 3D TSV
31382118	15	Synthesis, biological evaluation, and docking studies of new raloxifene sulfonate or sulfamate derivatives as inhibitors of nucleotide pyrophosphatase/phosphodiesterase.	Eur J Med Chem 181: (2019)	University of Sharjah	2D 3D TSV
31381853	124	Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.	J Med Chem 62: 7897-7909 (2019)	Merck Healthcare KGaA	2D 3D TSV
31381333	302	Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.	J Med Chem 62: 7923-7940 (2019)	TBA	2D 3D TSV
31381331	70	Profile of a Highly Selective Quaternized Pyrrolidine Betaine ?	J Med Chem 62: 7543-7556 (2019)	GlaxoSmithKline Medicines Research Centre	2D 3D TSV
31381325	46	Discovery of Inhibitors of Aurora/PLK Targets as Anticancer Agents.	J Med Chem 62: 7697-7707 (2019)	Chengdu University	2D 3D TSV
31378596	25	Microwave-Assisted Organic Synthesis, structure-activity relationship, kinetics and molecular docking studies of non-cytotoxic benzamide derivatives as selective butyrylcholinesterase inhibitors.	Bioorg Med Chem 27: 4030-4040 (2019)	University of Karachi	2D 3D TSV
31378593	54	Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).	Bioorg Med Chem 27: 4013-4029 (2019)	Vrije Universiteit Amsterdam	2D 3D TSV
31377035	16	Applications of amide isosteres in medicinal chemistry.	Bioorg Med Chem Lett 29: 2535-2550 (2019)	Xenon Pharmaceuticals Inc	2D 3D TSV
31376568	28	Targeting the subpocket in xanthine oxidase: Design, synthesis, and biological evaluation of 2-[4-alkoxy-3-(1H-tetrazol-1-yl) phenyl]-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid derivatives.	Eur J Med Chem 181: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31376566	19	Novel cyclin-dependent kinase 9 (CDK9) inhibitor with suppression of cancer stemness activity against non-small-cell lung cancer.	Eur J Med Chem 181: (2019)	Nankai University	2D 3D TSV
31376564	13	Cinnamamide: An insight into the pharmacological advances and structure-activity relationships.	Eur J Med Chem 181: (2019)	National Institute of Pharmaceutical Education and Research (NIPER)	2D 3D TSV
31376563	7	Design, synthesis and anti-inflammatory evaluation of 3-amide benzoic acid derivatives as novel P2Y	Eur J Med Chem 181: (2019)	China Pharmaceutical University	2D 3D TSV
31376562	122	Tacrine-O-protected phenolics heterodimers as multitarget-directed ligands against Alzheimer's disease: Selective subnanomolar BuChE inhibitors.	Eur J Med Chem 181: (2019)	Universidad de Sevilla	2D 3D TSV
31375290	16	Essential structure of orexin 1 receptor antagonist YNT-707, Part IV: The role of D-ring in 4,5-epoxymorphinan on the orexin 1 receptor antagonistic activity.	Bioorg Med Chem Lett 29: 2655-2658 (2019)	University of Tsukuba	2D 3D TSV
31371135	1	Incorporation of privileged structures into 3-O-?-chacotriosyl ursolic acid can enhance inhibiting the entry of the H5N1 virus.	Bioorg Med Chem Lett 29: 2675-2680 (2019)	South China Agricultural University	2D 3D TSV
31369933	24	Design, synthesis and biological evaluation of 2-(4-alkoxy-3-cyano)phenyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid derivatives as novel xanthine oxidase inhibitors.	Eur J Med Chem 181: (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31369707	13	Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF.	J Med Chem 62: 7684-7696 (2019)	University of Alberta	2D 3D TSV
31368705	57	Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.	J Med Chem 62: 7643-7655 (2019)	Merck KGaA	2D 3D TSV
31365252	87	Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) Inhibitor	J Med Chem 62: 7976-7997 (2019)	Boehringer Ingelheim RCV GmbH & Co. KG	2D 3D TSV
31365251	25	Ophiobolin-Type Sesterterpenoids from the Mangrove Endophytic Fungus	J Nat Prod 82: 2268-2278 (2019)	Sun Yat-sen University	2D 3D TSV
31362922	7	Synthesis and biological evaluation of 7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-benzo[e]indazoles as new colchicine site inhibitors.	Bioorg Med Chem Lett 29: 2632-2634 (2019)	Second Military Medical University	2D 3D TSV
31362921	62	A fragment-like approach to PYCR1 inhibition.	Bioorg Med Chem Lett 29: 2626-2631 (2019)	University of Strathclyde	2D 3D TSV
31362920	36	Synthesis and evaluation of 2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione derivatives as Mnk inhibitors.	Bioorg Med Chem Lett 29: 2650-2654 (2019)	University of South Australia	2D 3D TSV
31362919	67	Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E synthase-1 for the treatment of endometriosis.	Bioorg Med Chem Lett 29: 2700-2705 (2019)	Bayer AG	2D 3D TSV
31361481	23	Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles.	J Med Chem 62: 9418-9437 (2019)	AstraZeneca	2D 3D TSV
31361135	17	Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?	J Med Chem 62: 10497-10525 (2019)	University of S£o Paulo	2D 3D TSV
31358468	21	Further exploration of an N-aryl phenoxyethoxy pyridinone-based series of mGlu	Bioorg Med Chem Lett 29: 2670-2674 (2019)	Vanderbilt University	2D 3D TSV
31358467	10	Design, synthesis and evaluation of biphenyl imidazole analogues as potent antifungal agents.	Bioorg Med Chem Lett 29: 2448-2451 (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31358465	9	Towards multi-target antidiabetic agents: Discovery of biphenyl-benzimidazole conjugates as AMPK activators.	Bioorg Med Chem Lett 29: 2443-2447 (2019)	Volgograd State Medical University	2D 3D TSV
31358358	5	Identification of new aryl hydrocarbon receptor (AhR) antagonists using a zebrafish model.	Bioorg Med Chem 27: (2019)	Gwangju Institute of Science and Technology	2D 3D TSV
31357129	61	Synthesis, pharmacological and structural studies of 5-substituted-3-(1-arylmethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles as multi-target ligands of aminergic GPCRs.	Eur J Med Chem 180: 673-689 (2019)	Medical University of Lublin	2D 3D TSV
31352246	67	Triazole derivatives as inhibitors of Alzheimer's disease: Current developments and structure-activity relationships.	Eur J Med Chem 180: 656-672 (2019)	Wuhan Institute of Technology	2D 3D TSV
31352245	6	Synthesis and biological evaluation of moxifloxacin-acetyl-1,2,3-1H-triazole-methylene-isatin hybrids as potential anti-tubercular agents against both drug-susceptible and drug-resistant Mycobacterium tuberculosis strains.	Eur J Med Chem 180: 648-655 (2019)	Medical School of Nanjing University	2D 3D TSV
31351847	35	Peptide derivatives as inhibitors of NS2B-NS3 protease from Dengue, West Nile, and Zika flaviviruses.	Bioorg Med Chem 27: 3963-3978 (2019)	Federal University of Alagoas	2D 3D TSV
31351846	2	Molecular modelling, synthesis, and biological evaluations of a 3,5-disubstituted isoxazole fatty acid analogue as a PPAR?-selective agonist.	Bioorg Med Chem 27: 4059-4068 (2019)	University of Oslo	2D 3D TSV
31351692	14	Symmetry-based ligand design and evaluation of small molecule inhibitors of programmed cell death-1/programmed death-ligand 1 interaction.	Bioorg Med Chem Lett 29: 2464-2467 (2019)	Japan Tobacco Inc.	2D 3D TSV
31351395	13	Protective effect of piceatannol and bioactive stilbene derivatives against hypoxia-induced toxicity in H9c2 cardiomyocytes and structural elucidation as 5-LOX inhibitors.	Eur J Med Chem 180: 637-647 (2019)	University of Campania "L. Vanvitelli"	2D 3D TSV
31351394	7	Expedient assembly of Oligo-LacNAcs by a sugar nucleotide regeneration system: Finding the role of tandem LacNAc and sialic acid position towards siglec binding.	Eur J Med Chem 180: 627-636 (2019)	National Tsing-Hua University	2D 3D TSV
31351393	17	A novel class of multitarget anti-Alzheimer benzohomoadamantane?chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors.	Eur J Med Chem 180: 613-626 (2019)	University of Barcelona	2D 3D TSV
31350154	1	Structure-aided optimization of 3-O-?-chacotriosyl ursolic acid as novel H5N1 entry inhibitors with high selective index.	Bioorg Med Chem 27: 4048-4058 (2019)	South China Agricultural University	2D 3D TSV
31350127	5	Comparative analysis of stilbene and benzofuran neolignan derivatives as acetylcholinesterase inhibitors with neuroprotective and anti-inflammatory activities.	Bioorg Med Chem Lett 29: 2475-2479 (2019)	Gifu University	2D 3D TSV
31350126	105	Novel SAR for quinazoline inhibitors of EHMT1 and EHMT2.	Bioorg Med Chem Lett 29: 2516-2524 (2019)	Mercachem BV	2D 3D TSV
31345748	37	Sulfonate and sulfamate derivatives possessing benzofuran or benzothiophene nucleus as potent carbonic anhydrase II/IX/XII inhibitors.	Bioorg Med Chem 27: 3889-3901 (2019)	University of Sharjah	2D 3D TSV
31345747	29	COX-1/COX-2 inhibition activities and molecular docking study of newly designed and synthesized pyrrolo[3,4-c]pyrrole Mannich bases.	Bioorg Med Chem 27: 3918-3928 (2019)	Wroclaw Medical University	2D 3D TSV
31345745	2	Rational modification of Mannich base-type derivatives as novel antichagasic compounds: Synthesis, in vitro and in vivo evaluation.	Bioorg Med Chem 27: 3902-3917 (2019)	Universidad de Navarra	2D 3D TSV
31345633	3	Discovery of human lactate dehydrogenase 5 inhibitors (hLDH5) with anti-lung cancer activity through an in silico method and biological validation.	Bioorg Med Chem Lett 29: 2459-2463 (2019)	The 5th Affiliated Hospital of Shenzhen University Health Science Center	2D 3D TSV
31344615	9	An insight into the medicinal perspective of synthetic analogs of indole: A review.	Eur J Med Chem 180: 562-612 (2019)	ISF College of Pharmacy	2D 3D TSV
31344613	25	Cell-active carbazole derivatives as inhibitors of the zika virus protease.	Eur J Med Chem 180: 536-545 (2019)	University of Patras	2D 3D TSV
31343875	34	Synthesis and Structure-Activity Relationship Correlations of Gnidimacrin Derivatives as Potent HIV-1 Inhibitors and HIV Latency Reversing Agents.	J Med Chem 62: 6958-6971 (2019)	Toho University	2D 3D TSV
31343176	72	Design, Synthesis, and Biological Characterization of Orally Active 17?-Hydroxysteroid Dehydrogenase Type 2 Inhibitors Targeting the Prevention of Osteoporosis.	J Med Chem 62: 7289-7301 (2019)	ElexoPharm GmbH	2D 3D TSV
31343173	1	Identification of ?-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4.	J Nat Prod 82: 2252-2261 (2019)	Jamia Millia Islamia University	2D 3D TSV
31339316	98	Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.	J Med Chem 62: 6913-6924 (2019)	Servier Research Institute of Medicinal Chemistry	2D 3D TSV
31336309	68	Rapid generation of novel benzoic acid-based xanthine derivatives as highly potent, selective and long acting DPP-4 inhibitors: Scaffold-hopping and prodrug study.	Eur J Med Chem 180: 509-523 (2019)	Guangxi Medical University	2D 3D TSV
31335138	56	Discovery and Development of a Series of Pyrazolo[3,4-	J Med Chem 62: 7473-7488 (2019)	Shanghai University	2D 3D TSV
31335136	29	Discovery of 4-Methylquinazoline Based PI3K Inhibitors for the Potential Treatment of Idiopathic Pulmonary Fibrosis.	J Med Chem 62: 8873-8879 (2019)	TBA	2D 3D TSV
31331653	16	5-Lipoxygenase as a drug target: A review on trends in inhibitors structural design, SAR and mechanism based approach.	Bioorg Med Chem 27: 3745-3759 (2019)	School of Advanced Sciences	2D 3D TSV
31330449	9	Role of sulphur-heterocycles in medicinal chemistry: An update.	Eur J Med Chem 180: 486-508 (2019)	Maharaja Ranjit Singh Punjab Technical University	2D 3D TSV
31330446	13	Potently inhibiting cancer cell migration with novel 3H-pyrazolo[4,3-f]quinoline boronic acid ROCK inhibitors.	Eur J Med Chem 180: 449-456 (2019)	Purdue University	2D 3D TSV
31327679	57	Design, synthesis, biological evaluation of benzoyl amide derivatives containing nitrogen heterocyclic ring as potential VEGFR-2 inhibitors.	Bioorg Med Chem 27: 3813-3824 (2019)	Zhengzhou Children's Hospital	2D 3D TSV
31327678	33	Discovery of a novel orally active TRPV4 inhibitor: Part 1. Optimization from an HTS hit.	Bioorg Med Chem 27: 3775-3787 (2019)	Astellas Pharma Inc.	2D 3D TSV
31327677	9	Identification and characterization of the first fragment hits for SETDB1 Tudor domain.	Bioorg Med Chem 27: 3866-3878 (2019)	University of Toronto	2D 3D TSV
31327675	34	Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors.	Bioorg Med Chem 27: 3998-4012 (2019)	Vrije Universiteit Amsterdam	2D 3D TSV
31327531	35	Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.	Bioorg Med Chem Lett 29: 2503-2510 (2019)	Meyer Cancer Center	2D 3D TSV
31326599	21	An overview on chemical structures as ?F508-CFTR correctors.	Eur J Med Chem 180: 430-448 (2019)	University of Palermo	2D 3D TSV
31326342	8	Urea moiety as amide bond mimetic in peptide-like inhibitors of VEGF-A	Bioorg Med Chem Lett 29: 2493-2497 (2019)	University of Warsaw	2D 3D TSV
31325786	48	Design, synthesis and biological evaluation of 6-deoxy O-spiroketal C-arylglucosides as novel renal sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes.	Eur J Med Chem 180: 398-416 (2019)	Chinese Academy of Sciences	2D 3D TSV
31325785	92	Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT	Eur J Med Chem 180: 383-397 (2019)	Medical University of Warsaw	2D 3D TSV
31325784	15	Design, synthesis and biological evaluation of hydroxypyridinone-coumarin hybrids as multimodal monoamine oxidase B inhibitors and iron chelates against Alzheimer's disease.	Eur J Med Chem 180: 367-382 (2019)	Zhejiang University	2D 3D TSV
31325783	34	Design, synthesis and biological evaluation of chalcones as reversers of P-glycoprotein-mediated multidrug resistance.	Eur J Med Chem 180: 350-366 (2019)	East China University of Science and Technology	2D 3D TSV
31324565	12	Total synthesis of dryocrassin ABBA and its analogues with potential inhibitory activity against drug-resistant neuraminidases.	Bioorg Med Chem 27: 3846-3852 (2019)	Chinese Academy of Sciences	2D 3D TSV
31324562	24	Design, synthesis and biological evaluation of 3-hydroxyquinazoline-2,4(1H,3H)-diones as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and integrase.	Bioorg Med Chem 27: 3836-3845 (2019)	Shandong University	2D 3D TSV
31324513	2	Design and synthesis of biotinylated Hexylselen as a probe to identify KGA allosteric inhibitors by a convenient biomolecular interaction assay.	Bioorg Med Chem Lett 29: 2498-2502 (2019)	Zhejiang University	2D 3D TSV
31320211	15	The parmodulin NRD-21 is an allosteric inhibitor of PAR1 Gq signaling with improved anti-inflammatory activity and stability.	Bioorg Med Chem 27: 3788-3796 (2019)	Marquette University	2D 3D TSV
31320147	22	Structural development of 1H-pyrazolo-[3,4-b]pyridine-4-carboxylic acid derivatives as human peroxisome proliferator-activated receptor alpha (PPAR?)-selective agonists.	Bioorg Med Chem Lett 29: 2124-2128 (2019)	Okayama University	2D 3D TSV
31319265	62	Strategies to develop selective CB	Eur J Med Chem 180: 291-309 (2019)	The University of Sydney	2D 3D TSV
31319263	49	Discovery of new potent dual sigma receptor/GluN2b ligands with antioxidant property as neuroprotective agents.	Eur J Med Chem 180: 268-282 (2019)	University of Trieste	2D 3D TSV
31318208	123	Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.	J Med Chem 62: 8973-8995 (2019)	TBA	2D 3D TSV
31317731	3	Naturally Occurring Lumazines.	J Nat Prod 82: 2054-2065 (2019)	University of Auckland	2D 3D TSV
31314518	356	Identification of	J Med Chem 62: 8953-8972 (2019)	TBA	2D 3D TSV
31312413	75	Synthesis and Biological Activity of Peptide ?-Ketoamide Derivatives as Proteasome Inhibitors.	ACS Med Chem Lett 10: 1086-1092 (2019)	University of Ferrara	2D 3D TSV
31312412	12	Targeting IRAK4 for Degradation with PROTACs.	ACS Med Chem Lett 10: 1081-1085 (2019)	GlaxoSmithKline Medicines Research Centre	2D 3D TSV
31312411	15	Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases.	ACS Med Chem Lett 10: 1074-1080 (2019)	University of Southern California	2D 3D TSV
31312410	24	Discovery of a Novel Selective Dual Peroxisome Proliferator-Activated Receptor ?/? Agonist for the Treatment of Primary Biliary Cirrhosis.	ACS Med Chem Lett 10: 1068-1073 (2019)	WuXi AppTec (Shanghai) Co., Ltd	2D 3D TSV
31312409	17	Antioxidant, Anti-inflammatory, and Neuroprotective Effects of Novel Vinyl Sulfonate Compounds as Nrf2 Activator.	ACS Med Chem Lett 10: 1061-1067 (2019)	Korea Institute of Science and Technology (KIST)	2D 3D TSV
31312408	49	Development of Highly Selective Pyrimidine-Based Aldosterone Synthase (CYP11B2) Inhibitors.	ACS Med Chem Lett 10: 1056-1060 (2019)	Selenity Therapeutics	2D 3D TSV
31312405	34	DL5050, a Selective Agonist for the Human Constitutive Androstane Receptor.	ACS Med Chem Lett 10: 1039-1044 (2019)	University of Maryland	2D 3D TSV
31312404	14	Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors.	ACS Med Chem Lett 10: 1033-1038 (2019)	Prelude Therapeutics	2D 3D TSV
31312402	10	Treatment of Cancers by Inhibition of Isoprenylcysteine Carboxyl Methyltransferase.	ACS Med Chem Lett 10: 1024-1025 (2019)	Usona Institute	2D 3D TSV
31311734	30	Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.	Bioorg Med Chem Lett 29: 2090-2093 (2019)	Genentech Inc.	2D 3D TSV
31311700	10	Phenylhydrazides as inhibitors of Leishmania amazonensis arginase and antileishmanial activity.	Bioorg Med Chem 27: 3853-3859 (2019)	Universidade Federal do Rio de Janeiro	2D 3D TSV
31310916	37	Design, synthesis, in-silico and biological evaluation of novel chalcone derivatives as multi-function agents for the treatment of Alzheimer's disease.	Eur J Med Chem 180: 238-252 (2019)	Nanyang Normal University	2D 3D TSV
31310125	83	2-Amino-2,3-dihydro-1	J Med Chem 62: 7431-7444 (2019)	Jinan University	2D 3D TSV
31307888	15	Tapping the therapeutic potential of protein tyrosine phosphatase 4A with small molecule inhibitors.	Bioorg Med Chem Lett 29: 2008-2015 (2019)	University of Pittsburgh	2D 3D TSV
31307887	64	Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.	Bioorg Med Chem Lett 29: 2294-2301 (2019)	Genentech	2D 3D TSV
31307763	1	Identification of a potent small-molecule inhibitor of bacterial DNA repair that potentiates quinolone antibiotic activity in methicillin-resistant Staphylococcus aureus.	Bioorg Med Chem 27: (2019)	Imperial College London	2D 3D TSV
31306906	2	2-(phenylthio)ethylidene derivatives as anti-Trypanosoma cruzi compounds: Structural design, synthesis and antiparasitic activity.	Eur J Med Chem 180: 191-203 (2019)	Universidade de Pernambuco	2D 3D TSV
31306905	42	Design, synthesis, and biological evaluation of a new class of histone acetyltransferase p300 inhibitors.	Eur J Med Chem 180: 171-190 (2019)	Fudan University	2D 3D TSV
31306818	19	Evolution in medicinal chemistry of sorafenib derivatives for hepatocellular carcinoma.	Eur J Med Chem 179: 916-935 (2019)	Fuzhou University	2D 3D TSV
31306011	15	Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.	J Med Chem 62: 7489-7505 (2019)	Achaogen Inc.	2D 3D TSV
31306009	64	Cyclization of RGD Peptides by Suzuki-Miyaura Cross-Coupling.	J Med Chem 62: 7417-7430 (2019)	Bielefeld University	2D 3D TSV
31306001	117	Modifications on the Amino-3,5-dicyanopyridine Core To Obtain Multifaceted Adenosine Receptor Ligands with Antineuropathic Activity.	J Med Chem 62: 6894-6912 (2019)	Universit£ degli Studi di Firenze	2D 3D TSV
31303386	35	Synthesis and biological evaluation of novel benzo[c][1,2,5]thiadiazol-5-yl and thieno[3,2-c]- pyridin-2-yl imidazole derivatives as ALK5 inhibitors.	Bioorg Med Chem Lett 29: 2070-2075 (2019)	Yanbian University	2D 3D TSV
31302448	197	Structure-activity relationships of thiazole and benzothiazole derivatives as selective cannabinoid CB2 agonists with in vivo anti-inflammatory properties.	Eur J Med Chem 180: 154-170 (2019)	German University in Cairo	2D 3D TSV
31301950	71	Functionalized 6-(piperidin-1-yl)-8,9-diphenyl purines as inverse agonists of the CB1 receptor - SAR efforts towards selectivity and peripheralization.	Bioorg Med Chem 27: 3632-3649 (2019)	RTI International	2D 3D TSV
31301949	25	Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.	Bioorg Med Chem 27: 3692-3706 (2019)	Astellas Pharma Inc.	2D 3D TSV
31301948	2	Synthesis, pharmacological evaluation, and mechanistic study of adefovir mixed phosphonate derivatives bearing cholic acid and l-amino acid moieties for the treatment of HBV.	Bioorg Med Chem 27: 3707-3721 (2019)	Guizhou Medical University	2D 3D TSV
31301931	1	Synthesis of peptidomimetics and chemo-biological tools for CD95/PLC?1 interaction analysis.	Bioorg Med Chem Lett 29: 2094-2099 (2019)	CLCC Eug�ne Marquis, INSERM, Univ Rennes 1, UMR1242, rue Bataille Flandres Dunkerque, 35042 Rennes, France; Equipe Ligue Contre Le Cancer, rue Bataille Flandres Dunkerque, 35042 Rennes, France.	2D 3D TSV
31301567	3	Discovery, synthesis, and in vitro evaluation of a novel bioactive peptide for ACE and DPP-IV inhibitory activity.	Eur J Med Chem 180: 99-110 (2019)	University of Mysore	2D 3D TSV
31301566	16	Design of balanced COX inhibitors based on anti-inflammatory and/or COX-2 inhibitory ascidian metabolites.	Eur J Med Chem 180: 86-98 (2019)	Pusan National University	2D 3D TSV
31301565	20	Discovery of pyrazole-thiophene derivatives as highly Potent, orally active Akt inhibitors.	Eur J Med Chem 180: 72-85 (2019)	Hangzhou Institute of Innovative Medicine	2D 3D TSV
31301562	8	Merging memantine and ferulic acid to probe connections between NMDA receptors, oxidative stress and amyloid-? peptide in Alzheimer's disease.	Eur J Med Chem 180: 111-120 (2019)	Alma Mater Studiorum - University of Bologna	2D 3D TSV
31300342	8	A new approach to procyanidins synthesis with potent anti-adipogenic effects.	Bioorg Med Chem Lett 29: 2079-2084 (2019)	Daegu University	2D 3D TSV
31300317	14	1,2,3-Triazole-containing hybrids as leads in medicinal chemistry: A recent overview.	Bioorg Med Chem 27: 3511-3531 (2019)	Chinese Academy of Sciences	2D 3D TSV
31300316	1	Development of novel lithocholic acid derivatives as vitamin D receptor agonists.	Bioorg Med Chem 27: 3674-3681 (2019)	Tokyo Medical and Dental University	2D 3D TSV
31299587	56	Novel N-aryl nicotinamide derivatives: Taking stock on 3,6-diazabicyclo[3.1.1]heptanes as ligands for neuronal acetylcholine receptors.	Eur J Med Chem 180: 51-61 (2019)	Universit£ di Sassari	2D 3D TSV
31299586	12	Design, synthesis, biological evaluation and docking study of novel indole-2-amide as anti-inflammatory agents with dual inhibition of COX and 5-LOX.	Eur J Med Chem 180: 41-50 (2019)	Anhui University of Chinese Medicine	2D 3D TSV
31299584	32	Design, synthesis, and antifibrosis evaluation of 4-(benzo-[c][1,2,5]thiadiazol-5-yl)-3(5)-(6-methyl- pyridin-2-yl)pyrazole and 3(5)-(6-methylpyridin- 2-yl)-4-(thieno-[3,2,-c]pyridin-2-yl)pyrazole derivatives.	Eur J Med Chem 180: 15-27 (2019)	Yanbian University	2D 3D TSV
31298548	112	Probing the Existence of a Metastable Binding Site at the ?	J Med Chem 62: 7806-7839 (2019)	University of Copenhagen	2D 3D TSV
31298542	108	Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design.	J Med Chem 62: 7264-7288 (2019)	Chinese Academy of Sciences	2D 3D TSV
31298541	20	Design, Synthesis, Evaluation, and Structural Studies of	J Med Chem 62: 7250-7263 (2019)	Jagiellonian University	2D 3D TSV
31298540	52	Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFR	J Med Chem 62: 7302-7308 (2019)	Jinan University	2D 3D TSV
31298539	18	Design, Synthesis, and Characterization of Ogerin-Based Positive Allosteric Modulators for G Protein-Coupled Receptor 68 (GPR68).	J Med Chem 62: 7557-7574 (2019)	Icahn School of Medicine at Mount Sinai	2D 3D TSV
31298537	2	Exploring the Natural Piericidins as Anti-Renal Cell Carcinoma Agents Targeting Peroxiredoxin 1.	J Med Chem 62: 7058-7069 (2019)	Chinese Academy of Sciences	2D 3D TSV
31296439	35	Synthesis and biological evaluation of 1-alkylaminomethyl-1,1-bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii.	Bioorg Med Chem 27: 3663-3673 (2019)	Universidad de Buenos Aires	2D 3D TSV
31296357	1	Oxadiazole scaffolds in anti-tuberculosis drug discovery.	Bioorg Med Chem Lett 29: 1999-2007 (2019)	Institute of Chemical Technology	2D 3D TSV
31294975	38	Discovery of Novel Naphthylphenylketone and Naphthylphenylamine Derivatives as Cell Division Cycle 25B (CDC25B) Phosphatase Inhibitors: Design, Synthesis, Inhibition Mechanism, and in Vitro Efficacy against Melanoma Cell Lines.	J Med Chem 62: 7089-7110 (2019)	University of Naples Federico II	2D 3D TSV
31294974	62	Mechanistic Insight on the Mode of Action of Colletoic Acid.	J Med Chem 62: 6925-6940 (2019)	The University of Tennessee Health Science Center	2D 3D TSV
31291098	136	Development of Dual Chitinase Inhibitors as Potential New Treatment for Respiratory System Diseases.	J Med Chem 62: 7126-7145 (2019)	OncoArendi Therapeutics SA	2D 3D TSV
31288978	29	Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, ?-amyloid aggregation and oxidative stress to treat Alzheimer's disease.	Bioorg Med Chem 27: 3650-3662 (2019)	Indian Institute of Technology (Banaras Hindu University)	2D 3D TSV
31288965	25	Optimization of oxadiazole derivatives with a spirocyclic cyclohexane structure as novel GPR119 agonists.	Bioorg Med Chem Lett 29: 2100-2106 (2019)	Japan Tobacco Inc.	2D 3D TSV
31288149	8	A new series of bicalutamide, enzalutamide and enobosarm derivatives carrying pentafluorosulfanyl (SF	Eur J Med Chem 180: 1-14 (2019)	Cardiff University	2D 3D TSV
31288128	6	Boron in drug design: Recent advances in the development of new therapeutic agents.	Eur J Med Chem 179: 791-804 (2019)	S£o Paulo State University	2D 3D TSV
31288127	10	Antifungal activity, mode of action variability, and subcellular distribution of coumarin-based antifungal azoles.	Eur J Med Chem 179: 779-790 (2019)	Tel Aviv University	2D 3D TSV
31287314	52	Synthesis and Evaluation of Carbonic Anhydrase Inhibitors with Carbon Monoxide Releasing Properties for the Management of Rheumatoid Arthritis.	J Med Chem 62: 7233-7249 (2019)	Universit£ degli Studi di Firenze	2D 3D TSV
31285097	14	Biological evaluation of molecules of the azaBINOL class as antiviral agents: Inhibition of HIV-1 RNase H activity by 7-isopropoxy-8-(naphth-1-yl)quinoline.	Bioorg Med Chem 27: 3595-3604 (2019)	Oregon State University	2D 3D TSV
31284084	3	Identification and characterization of a novel chemotype for human TLR8 inhibitors.	Eur J Med Chem 179: 744-752 (2019)	Freie Universit£t Berlin	2D 3D TSV
31284081	60	Novel potent substituted 4-amino-2-thiopyrimidines as dual VEGFR-2 and BRAF kinase inhibitors.	Eur J Med Chem 179: 707-722 (2019)	National Research Centre	2D 3D TSV
31283229	41	Discovery of a Potent Kelch-Like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Protein-Protein Interaction Inhibitor with Natural Proline Structure as a Cytoprotective Agent against Acetaminophen-Induced Hepatotoxicity.	J Med Chem 62: 6796-6813 (2019)	China Pharmaceutical University	2D 3D TSV
31283227	72	Discovery of 3-Oxabicyclo[4.1.0]heptane, a Non-nitrogen Containing Morpholine Isostere, and Its Application in Novel Inhibitors of the PI3K-AKT-mTOR Pathway.	J Med Chem 62: 6972-6984 (2019)	GlaxoSmithKline R&D	2D 3D TSV
31283223	20	Novel and Selective TLR7 Antagonists among the Imidazo[1,2-	J Med Chem 62: 7015-7031 (2019)	Universit£ de Montpellier	2D 3D TSV
31283217	8	Linear and Rationally Designed Stapled Peptides Abrogate TLR4 Pathway and Relieve Inflammatory Symptoms in Rheumatoid Arthritis Rat Model.	J Med Chem 62: 6495-6511 (2019)	Ajou University	2D 3D TSV
31282155	21	3-[(1	J Med Chem 62: 6876-6893 (2019)	Peloton Therapeutics, Inc.	2D 3D TSV
31281023	3	Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.	Bioorg Med Chem Lett 29: 2182-2188 (2019)	Yale University	2D 3D TSV
31281021	18	Synthesis and evaluation of tetrahydropyrazolopyridine inhibitors of anion exchange protein SLC26A4 (pendrin).	Bioorg Med Chem Lett 29: 2119-2123 (2019)	University of California	2D 3D TSV
31281020	39	Dual functional cholinesterase and PDE4D inhibitors for the treatment of Alzheimer's disease: Design, synthesis and evaluation of tacrine-pyrazolo[3,4-b]pyridine hybrids.	Bioorg Med Chem Lett 29: 2150-2152 (2019)	Sun Yat-sen University	2D 3D TSV
31280999	29	2-Aryladenine derivatives as a potent scaffold for A	Bioorg Med Chem 27: 3551-3558 (2019)	Universidade do Minho	2D 3D TSV
31280020	33	Novel N-benzylpiperidine carboxamide derivatives as potential cholinesterase inhibitors for the treatment of Alzheimer's disease.	Eur J Med Chem 179: 680-693 (2019)	University of Pretoria	2D 3D TSV
31279524	53	Design, synthesis, and in vitro bioactivity evaluation of fluorine-containing analogues for sphingosine-1-phosphate 2 receptor.	Bioorg Med Chem 27: 3619-3631 (2019)	Washington University	2D 3D TSV
31279294	29	Design, synthesis and biological evaluation of novel FFA1/GPR40 agonists: New breakthrough in an old scaffold.	Eur J Med Chem 179: 608-622 (2019)	China Pharmaceutical University	2D 3D TSV
31279292	3	Synthesis and biological evaluation of hybrid quinolone-based quaternary ammonium antibacterial agents.	Eur J Med Chem 179: 576-590 (2019)	Medical University of Gdansk	2D 3D TSV
31278031	2	Styryl quinazolinones and its ethynyl derivatives induce myeloid differentiation.	Bioorg Med Chem Lett 29: 2286-2289 (2019)	National University of Singapore	2D 3D TSV
31276900	15	Identification of ebselen as a potent inhibitor of insulin degrading enzyme by a drug repurposing screening.	Eur J Med Chem 179: 557-566 (2019)	Univ. Lille	2D 3D TSV
31276899	63	Application of hydrazino and hydrazido linkers to connect benzenesulfonamides with hydrophilic/phobic tails for targeting the middle region of human carbonic anhydrases active site: Selective inhibitors of hCA IX.	Eur J Med Chem 179: 547-556 (2019)	Cairo University	2D 3D TSV
31276898	5	Recent progress in histone methyltransferase (G9a) inhibitors as anticancer agents.	Eur J Med Chem 179: 537-546 (2019)	Southern Medical University	2D 3D TSV
31276897	24	Endomorphin-2 analogs containing modified tyrosines: Biological and theoretical investigation of the influence on conformation and pharmacological profile.	Eur J Med Chem 179: 527-536 (2019)	Medical University of Lodz	2D 3D TSV
31276895	22	Novel phenanthridin-6(5H)-one derivatives as potent and selective BET bromodomain inhibitors: Rational design, synthesis and biological evaluation.	Eur J Med Chem 179: 502-514 (2019)	Henan University of Traditional Chinese Medicine	2D 3D TSV
31276409	8	Alkaloids Purified from	J Nat Prod 82: 1953-1960 (2019)	American University of Health Sciences	2D 3D TSV
31276399	21	Monosaccharide Analogues of Anticancer Peptide R-Lycosin-I: Role of Monosaccharide Conjugation in Complexation and the Potential of Lung Cancer Targeting and Therapy.	J Med Chem 62: 7857-7873 (2019)	TBA	2D 3D TSV
31276392	176	Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens.	J Med Chem 62: 7445-7472 (2019)	Angelini S.p.A.	2D 3D TSV
31274316	9	Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases.	J Med Chem 62: 6512-6524 (2019)	University of California	2D 3D TSV
31274313	95	Discovery of a Potent Steroidal Glucocorticoid Receptor Antagonist with Enhanced Selectivity against the Progesterone and Androgen Receptors (OP-3633).	J Med Chem 62: 6751-6764 (2019)	ORIC Pharmaceuticals	2D 3D TSV
31274307	24	Route to Prolonged Residence Time at the Histamine H	J Med Chem 62: 6630-6644 (2019)	VU University Amsterdam	2D 3D TSV
31272837	8	Green synthesis, biological evaluation, molecular docking studies and 3D-QSAR analysis of novel phenylalanine linked quinazoline-4(3H)-one-sulphonamide hybrid entities distorting the malarial reductase activity in folate pathway.	Bioorg Med Chem 27: 3574-3586 (2019)	Affiliated to Sardar Patel University	2D 3D TSV
31272835	5	Melanogenic inhibitory effects of Triangularin in B16F0 melanoma cells, in vitro and molecular docking studies.	Bioorg Med Chem 27: 3722-3728 (2019)	Universidad Nacional de C£rdoba	2D 3D TSV
31272795	154	Discovery and pharmacological evaluation of indole derivatives as potent and selective ROR?t inverse agonist for multiple autoimmune conditions.	Bioorg Med Chem Lett 29: 2208-2217 (2019)	Advinus Therapeutics Limited	2D 3D TSV
31272794	6	Discovery of novel 9H-purin derivatives as dual inhibitors of HDAC1 and CDK2.	Bioorg Med Chem Lett 29: 2136-2140 (2019)	Chongqing Medical University	2D 3D TSV
31272793	1	Sulfonamide derivatives as multi-target agents for complex diseases.	Bioorg Med Chem Lett 29: 2042-2050 (2019)	University of Massachusetts Boston	2D 3D TSV
31271960	1	Synthesis of novel galeterone derivatives and evaluation of their in vitro activity against prostate cancer cell lines.	Eur J Med Chem 179: 483-492 (2019)	The Czech Academy of Sciences	2D 3D TSV
31271959	76	Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.	Eur J Med Chem 179: 470-482 (2019)	Chinese Academy of Sciences	2D 3D TSV
31271958	53	Bis(het)aryl-1,2,3-triazole quinuclidines as ?7 nicotinic acetylcholine receptor ligands: Synthesis, structure affinity relationships, agonism activity, [	Eur J Med Chem 179: 449-469 (2019)	Universit£ d'Orl£ans	2D 3D TSV
31271281	9	Development of Multifunctional Histone Deacetylase 6 Degraders with Potent Antimyeloma Activity.	J Med Chem 62: 7042-7057 (2019)	Institute of Biotechnology of the Czech Academy of Sciences	2D 3D TSV
31270017	1	Homoharringtonine stabilizes secondary structure of guanine-rich sequence existing in the 5'-untranslated region of Nrf2.	Bioorg Med Chem Lett 29: 2189-2196 (2019)	Dongguk University	2D 3D TSV
31269398	35	Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-?-lactamases.	J Med Chem 62: 7160-7184 (2019)	Sichuan University	2D 3D TSV
31268709	17	Prenylated Stilbenoids Affect Inflammation by Inhibiting the NF-?B/AP-1 Signaling Pathway and Cyclooxygenases and Lipoxygenase.	J Nat Prod 82: 1839-1848 (2019)	Czech Academy of Sciences	2D 3D TSV
31268699	48	Probing the Ligand-Binding Pocket of BTN3A1.	J Med Chem 62: 6814-6823 (2019)	Western Michigan University	2D 3D TSV
31268317	6	Norepinephrine-Transporter-Targeted and DNA-Co-Targeted Theranostic Guanidines.	J Med Chem 63: 2051-2073 (2020)	University of Nebraska Medical Center	2D 3D TSV
31268316	22	7-Methylation of Chenodeoxycholic Acid Derivatives Yields a Substantial Increase in TGR5 Receptor Potency.	J Med Chem 62: 6824-6830 (2019)	University of Minnesota	2D 3D TSV
31268309	17	A- and D-Ring Structural Modifications of an Androsterone Derivative Inhibiting 17?-Hydroxysteroid Dehydrogenase Type 3: Chemical Synthesis and Structure-Activity Relationships.	J Med Chem 62: 7070-7088 (2019)	CHU de Queb£c-Research Center	2D 3D TSV
31268308	36	Multistage Screening Reveals 3-Substituted Indolin-2-one Derivatives as Novel and Isoform-Selective c-Jun N-terminal Kinase 3 (JNK3) Inhibitors: Implications to Drug Discovery for Potential Treatment of Neurodegenerative Diseases.	J Med Chem 62: 6645-6664 (2019)	Peking University	2D 3D TSV
31268307	10	Polycerasoidol, a Natural Prenylated Benzopyran with a Dual PPAR?/PPAR? Agonist Activity and Anti-inflammatory Effect.	J Nat Prod 82: 1802-1812 (2019)	University of Valencia	2D 3D TSV
31266686	7	Small-molecule agents for the treatment of inflammatory bowel disease.	Bioorg Med Chem Lett 29: 2034-2041 (2019)	Gilead Sciences	2D 3D TSV
31265934	53	Carboxamides vs. methanimines: Crystal structures, binding interactions, photophysical studies, and biological evaluation of (indazole-5-yl)methanimines as monoamine oxidase B and acetylcholinesterase inhibitors.	Eur J Med Chem 179: 404-422 (2019)	NTZ Lab Ltd.	2D 3D TSV
31265286	17	Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[	J Med Chem 62: 6482-6494 (2019)	GlaxoSmithKline	2D 3D TSV
31265285	33	Bisubstrate Inhibitors of Nicotinamide	J Med Chem 62: 6597-6614 (2019)	Leiden University	2D 3D TSV
31264862	231	Discovery of Clinical Candidate (1	J Med Chem 62: 6705-6733 (2019)	NewLink Genetics Corporation	2D 3D TSV
31260890	27	Design, synthesis and biological evaluations of 2-amino-4-(1-piperidine) pyridine derivatives as novel anti crizotinib-resistant ALK/ROS1 dual inhibitors.	Eur J Med Chem 179: 358-375 (2019)	Southern Medical University	2D 3D TSV
31260889	10	Discovery of a novel 2,5-dihydroxycinnamic acid-based 5-lipoxygenase inhibitor that induces apoptosis and may impair autophagic flux in RCC4 renal cancer cells.	Eur J Med Chem 179: 347-357 (2019)	Universit£ de Moncton	2D 3D TSV
31260312	49	TASK Channels Pharmacology: New Challenges in Drug Design.	J Med Chem 62: 10044-10058 (2019)	Universidad de Talca	2D 3D TSV
31260301	2	Chivosazole A Modulates Protein-Protein Interactions of Actin.	J Nat Prod 82: 1961-1970 (2019)	Ludwig-Maximilians-University	2D 3D TSV
31260300	20	Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).	J Med Chem 62: 8996-9007 (2019)	Icahn School of Medicine at Mount Sinai	2D 3D TSV
31260299	14	Discovery of 4-Aminoquinoline-3-carboxamide Derivatives as Potent Reversible Bruton's Tyrosine Kinase Inhibitors for the Treatment of Rheumatoid Arthritis.	J Med Chem 62: 6561-6574 (2019)	Tsinghua University	2D 3D TSV
31259550	57	Discovery of a Potent and Selective CCR4 Antagonist That Inhibits T	J Med Chem 62: 6190-6213 (2019)	RAPT Therapeutics	2D 3D TSV
31257877	94	The Significance of Chirality in Drug Design and Synthesis of Bitopic Ligands as D	J Med Chem 62: 6287-6314 (2019)	National Institute on Drug Abuse-Intramural Research Program	2D 3D TSV
31257875	5	Benzylideneacetone Derivatives Inhibit Osteoclastogenesis and Activate Osteoblastogenesis Independently Based on Specific Structure-Activity Relationship.	J Med Chem 62: 6063-6082 (2019)	Korea University	2D 3D TSV
31257087	243	Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR?t inverse agonists.	Bioorg Med Chem Lett 29: 2265-2269 (2019)	Bristol-Myers Squibb Company	2D 3D TSV
31257085	24	Strategies for the development of highly selective cytochrome P450 inhibitors: Several CYP targets in current research.	Bioorg Med Chem Lett 29: 2016-2024 (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31257080	9	Design, synthesis and biological evaluation of hypolipidemic compounds based on BRD4 inhibitor RVX-208.	Bioorg Med Chem Lett 29: 2168-2172 (2019)	Southeast University	2D 3D TSV
31257079	9	New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.	Bioorg Med Chem 27: 3546-3550 (2019)	University of Leeds	2D 3D TSV
31256587	105	Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.	J Med Chem 62: 7146-7159 (2019)	Cancer Therapeutics CRC	2D 3D TSV
31255928	82	Design, synthesis and biological evaluation of 2-hydrazinyladenosine derivatives as A	Eur J Med Chem 179: 310-324 (2019)	National Engineering Research Center for the Emergency Drug	2D 3D TSV
31255927	34	Human disorders associated with inflammation and the evolving role of natural products to overcome.	Eur J Med Chem 179: 272-309 (2019)	University of Delhi	2D 3D TSV
31255926	46	Sulfamates in drug design and discovery: Pre-clinical and clinical investigations.	Eur J Med Chem 179: 257-271 (2019)	University of Sharjah	2D 3D TSV
31255924	34	Structure-activity relationship study and biological evaluation of SAC-Garlic acid conjugates as novel anti-inflammatory agents.	Eur J Med Chem 179: 233-245 (2019)	Southern Medical University	2D 3D TSV
31255497	5	Rational approaches, design strategies, structure activity relationship and mechanistic insights for therapeutic coumarin hybrids.	Bioorg Med Chem 27: 3477-3510 (2019)	Guru Nanak Dev University	2D 3D TSV
31255496	25	Modification of the 4-phenylbutyl side chain of potent 3-benzazepine-based GluN2B receptor antagonists.	Bioorg Med Chem 27: 3559-3567 (2019)	Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster	2D 3D TSV
31254923	7	Design, synthesis and activity of novel 2,6-disubstituted purine derivatives, potential small molecule inhibitors of signal transducer and activator of transcription 3.	Eur J Med Chem 179: 218-232 (2019)	Wenzhou Medical University	2D 3D TSV
31254921	7	Discovery of novel pyrimidine-based benzothiazole derivatives as potent cyclin-dependent kinase 2 inhibitors with anticancer activity.	Eur J Med Chem 179: 196-207 (2019)	Southern Medical University	2D 3D TSV
31253535	115	Design, synthesis and molecular modelling of new bulky Fananserin derivatives with altered pharmacological profile as potential antidepressants.	Bioorg Med Chem 27: 3396-3407 (2019)	Cracow University of Technology	2D 3D TSV
31253533	14	Discovery of BR102375, a new class of non-TZD PPAR? full agonist for the treatment of type 2 diabetes.	Bioorg Med Chem Lett 29: 2275-2282 (2019)	Boryung Pharmaceuticals Co. Ltd.	2D 3D TSV
31253532	85	New dual ligands for the D	Bioorg Med Chem Lett 29: 2236-2242 (2019)	Cracow University of Technology	2D 3D TSV
31253530	6	Inhibition of neutral lipid synthesis by avarols from a marine sponge.	Bioorg Med Chem Lett 29: 2283-2285 (2019)	Kitasato University	2D 3D TSV
31252306	20	Design, synthesis and in vitro evaluation of 6-amide-2-aryl benzoxazole/benzimidazole derivatives against tumor cells by inhibiting VEGFR-2 kinase.	Eur J Med Chem 179: 147-165 (2019)	Yunnan University	2D 3D TSV
31252305	18	Light-controlled inhibition of BRAFV600E kinase.	Eur J Med Chem 179: 133-146 (2019)	University Medical Center Groningen	2D 3D TSV
31251594	57	Novel Human Aminopeptidase N Inhibitors: Discovery and Optimization of Subsite Binding Interactions.	J Med Chem 62: 7185-7209 (2019)	Monash University	2D 3D TSV
31251063	26	De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.	J Med Chem 62: 6615-6629 (2019)	Max Planck Institute for Developmental Biology	2D 3D TSV
31250638	34	Discovery of 2-(4-Chloro-3-(trifluoromethyl)phenyl)-	J Med Chem 62: 6083-6101 (2019)	Chinese Academy of Sciences	2D 3D TSV
31248774	45	SAR inspired by aldehyde oxidase (AO) metabolism: Discovery of novel, CNS penetrant tricyclic M	Bioorg Med Chem Lett 29: 2224-2228 (2019)	Vanderbilt University	2D 3D TSV
31248772	4	Synthesis and biological evaluation of PSMA-targeting paclitaxel conjugates.	Bioorg Med Chem Lett 29: 2229-2235 (2019)	Lomonosov Moscow State University	2D 3D TSV
31248771	14	l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan.	Bioorg Med Chem Lett 29: 2254-2258 (2019)	University of Nebraska at Kearney	2D 3D TSV
31247375	33	Human constitutive androstane receptor agonist DL5016: A novel sensitizer for cyclophosphamide-based chemotherapies.	Eur J Med Chem 179: 84-99 (2019)	University of Maryland	2D 3D TSV
31247373	18	Selective Toll-like receptor 7 agonists with novel chromeno[3,4-d]imidazol-4(1H)-one and 2-(trifluoromethyl)quinoline/ quinazoline-4-amine scaffolds.	Eur J Med Chem 179: 109-122 (2019)	University of Ljubljana	2D 3D TSV
31246024	106	Discovery of Potent Protease-Activated Receptor 4 Antagonists with in Vivo Antithrombotic Efficacy.	J Med Chem 62: 7400-7416 (2019)	Bristol-Myers Squibb Research & Development	2D 3D TSV
31244143	17	Molecular Networking Reveals the Chemical Diversity of Selaginellin Derivatives, Natural Phosphodiesterase-4 Inhibitors from	J Nat Prod 82: 1820-1830 (2019)	Seoul National University	2D 3D TSV
31244141	4	Meroterpenoids with BACE1 Inhibitory Activity from the Fruiting Body of	J Nat Prod 82: 1797-1801 (2019)	Meiji Pharmaceutical University	2D 3D TSV
31244114	56	Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-? Motif Kinase (ZAK) Inhibitors.	J Med Chem 63: 2114-2130 (2020)	Jinan University	2D 3D TSV
31244113	27	Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.	J Med Chem 62: 6346-6362 (2019)	Seoul National University	2D 3D TSV
31244112	46	(	J Med Chem 62: 6241-6261 (2019)	University of Basel	2D 3D TSV
31244110	83	Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.	J Med Chem 62: 6015-6034 (2019)	TBA	2D 3D TSV
31244109	36	Philanthotoxin Analogues That Selectively Inhibit Ganglionic Nicotinic Acetylcholine Receptors with Exceptional Potency.	J Med Chem 62: 6214-6222 (2019)	University of Nottingham	2D 3D TSV
31244108	22	Engineered Substrate for Cyclooxygenase-2: A Pentapeptide Isoconformational to Arachidonic Acid for Managing Inflammation.	J Med Chem 62: 6363-6376 (2019)	TBA	2D 3D TSV
31244107	2	Photoactivatable Prolyl Hydroxylase 2 Inhibitors for Stabilizing the Hypoxia-Inducible Factor with Light.	J Med Chem 62: 7583-7588 (2019)	China Pharmaceutical University	2D 3D TSV
31244106	66	Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.	J Med Chem 62: 6391-6397 (2019)	Gr�nenthal GmbH	2D 3D TSV
31238183	13	Design of wogonin-inspired selective cyclin-dependent kinase 9 (CDK9) inhibitors with potent in vitro and in vivo antitumor activity.	Eur J Med Chem 178: 782-801 (2019)	China Pharmaceutical University	2D 3D TSV
31235266	60	Structure-activity relationship study of thiazolyl-hydroxamate derivatives as selective histone deacetylase 6 inhibitors.	Bioorg Med Chem 27: 3408-3420 (2019)	Sungkyunkwan University	2D 3D TSV
31235264	13	Discovery of a pyrazolo[1,5-a]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety.	Bioorg Med Chem 27: 3440-3450 (2019)	Mitsubishi Tanabe Pharma Corporation	2D 3D TSV
31235263	14	Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence.	Bioorg Med Chem Lett 29: 2316-2319 (2019)	Novartis Institutes for BioMedical Research	2D 3D TSV
31235262	37	The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.	Bioorg Med Chem Lett 29: 2320-2326 (2019)	Asahi Kasei Pharma Corporation	2D 3D TSV
31235261	56	Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.	Bioorg Med Chem Lett 29: 2375-2382 (2019)	FORMA Therapeutics	2D 3D TSV
31234030	38	Discovery and structure-activity relationship of novel diphenylthiazole derivatives as BTK inhibitor with potent activity against B cell lymphoma cell lines.	Eur J Med Chem 178: 767-781 (2019)	Nankai University	2D 3D TSV
31233921	50	Design, synthesis and antitumor study of a series of N-Cyclic sulfamoylaminoethyl substituted 1,2,5-oxadiazol-3-amines as new indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors.	Eur J Med Chem 179: 38-55 (2019)	Shanghai Institute of Materia Medica (SIMM)	2D 3D TSV
31230974	311	Discovery of velpatasvir (GS-5816): A potent pan-genotypic HCV NS5A inhibitor in the single-tablet regimens Vosevi	Bioorg Med Chem Lett 29: 2415-2427 (2019)	Gilead Sciences	2D 3D TSV
31229883	202	2-Aminoimidazole-based antagonists of the 5-HT	Eur J Med Chem 179: 1-15 (2019)	Polish Academy of Sciences	2D 3D TSV
31229876	89	Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HT	Eur J Med Chem 178: 740-751 (2019)	Jagiellonian University	2D 3D TSV
31229875	33	Design, synthesis, in-silico and biological evaluation of novel chalcone-O-carbamate derivatives as multifunctional agents for the treatment of Alzheimer's disease.	Eur J Med Chem 178: 726-739 (2019)	Nanyang Normal University	2D 3D TSV
31229873	32	2,7-naphthyridinone-based MET kinase inhibitors: A promising novel scaffold for antitumor drug development.	Eur J Med Chem 178: 705-714 (2019)	Central China Normal University	2D 3D TSV
31229420	21	Synthesis of oxytocin derivatives lipidated via a carbonate or carbamate linkage as a long-acting therapeutic agent for social impairment-like behaviors.	Bioorg Med Chem 27: 3358-3363 (2019)	Kanazawa University	2D 3D TSV
31228811	2	Medicinal prospects of antioxidants: A review.	Eur J Med Chem 178: 687-704 (2019)	Jamia Hamdard (Deemed to be University)	2D 3D TSV
31228810	162	Discovery of 4-phenyl-2H-benzo[b][1,4]oxazin-3(4H)-one derivatives as potent and orally active PI3K/mTOR dual inhibitors.	Eur J Med Chem 178: 667-686 (2019)	West China Hospital of Sichuan University	2D 3D TSV
31227364	29	Inhibition of polypeptide N-acetyl-?-galactosaminyltransferases is an underlying mechanism of dietary polyphenols preventing colorectal tumorigenesis.	Bioorg Med Chem 27: 3372-3382 (2019)	Shanghai Jiao Tong University	2D 3D TSV
31227345	1	Discovery of novel N-methyl carbazole tethered rhodanine derivatives as direct inhibitors of Mycobacterium tuberculosis InhA.	Bioorg Med Chem Lett 29: 2338-2344 (2019)	University of KwaZulu-Natal (UKZN)	2D 3D TSV
31227344	21	SAR studies in the sulfonyl carboxamide class of HBV capsid assembly modulators.	Bioorg Med Chem Lett 29: 2405-2409 (2019)	Novira Therapeutics	2D 3D TSV
31227343	12	Discovery of 2,3'-diindolylmethanes as a novel class of PCSK9 modulators.	Bioorg Med Chem Lett 29: 2345-2348 (2019)	University of Wisconsin	2D 3D TSV
31226656	30	Identification of benzo[cd]indol-2(1H)-ones as novel Atg4B inhibitors via a structure-based virtual screening and a novel AlphaScreen assay.	Eur J Med Chem 178: 648-666 (2019)	Institute of Advanced Chemistry of Catalonia	2D 3D TSV
31223461	56	Discovery of SHR1653, a Highly Potent and Selective OTR Antagonist with Improved Blood-Brain Barrier Penetration.	ACS Med Chem Lett 10: 996-1001 (2019)	Shanghai Hengrui Pharmaceutical CO., LTD.	2D 3D TSV
31223459	2	Chain-Shortened Myostatin Inhibitory Peptides Improve Grip Strength in Mice.	ACS Med Chem Lett 10: 985-990 (2019)	Tokyo University of Pharmacy and Life Sciences	2D 3D TSV
31223458	30	Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.	ACS Med Chem Lett 10: 978-984 (2019)	Experimental Drug Development Centre	2D 3D TSV
31223457	71	Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2.	ACS Med Chem Lett 10: 972-977 (2019)	AstraZeneca	2D 3D TSV
31223455	12	Modifications at Arg and Ile Give Neurotensin(8-13) Derivatives with High Stability and Retained NTS	ACS Med Chem Lett 10: 960-965 (2019)	University of Regensburg	2D 3D TSV
31223453	103	Discovery of Imidazoisoindole Derivatives as Highly Potent and Orally Active Indoleamine-2,3-dioxygenase Inhibitors.	ACS Med Chem Lett 10: 949-953 (2019)	Shanghai Hengrui Pharmaceutical Co., Ltd.	2D 3D TSV
31223452	49	Discovery of Selective M4 Muscarinic Acetylcholine Receptor Agonists with Novel Carbamate Isosteres.	ACS Med Chem Lett 10: 941-948 (2019)	Pfizer Inc.	2D 3D TSV
31223450	2	Synthesis and Optimization of K	ACS Med Chem Lett 10: 929-935 (2019)	University of Pittsburgh	2D 3D TSV
31223449	18	DMSO-Perturbing Assay for Identifying Promiscuous Enzyme Inhibitors.	ACS Med Chem Lett 10: 923-928 (2019)	Kyushu University	2D 3D TSV
31223447	44	Discovery of a Lead Triphenylethanamine Cholesterol Ester Transfer Protein (CETP) Inhibitor.	ACS Med Chem Lett 10: 911-916 (2019)	Bristol-Myers Squibb	2D 3D TSV
31223446	9	Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations.	ACS Med Chem Lett 10: 904-910 (2019)	The University of Texas at El Paso	2D 3D TSV
31223445	4	Computer-Aided Selective Optimization of Side Activities of Talinolol.	ACS Med Chem Lett 10: 899-903 (2019)	Goethe-University of Frankfurt	2D 3D TSV
31223444	41	Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.	ACS Med Chem Lett 10: 893-898 (2019)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
31223440	8	Discovery of Potent and Noncovalent Reversible EGFR Kinase Inhibitors of EGFR	ACS Med Chem Lett 10: 869-873 (2019)	East China University of Science and Technology	2D 3D TSV
31223439	25	Extending Cross Metathesis To Identify Selective HDAC Inhibitors: Synthesis, Biological Activities, and Modeling.	ACS Med Chem Lett 10: 863-868 (2019)	UMR CNRS 7285	2D 3D TSV
31223438	22	Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.	ACS Med Chem Lett 10: 857-862 (2019)	GlaxoSmithKline	2D 3D TSV
31223436	6	LRRK2 Kinase Inhibitors as Possible Therapy for Parkinson's Disease and Other Neurodegenerative Disorders.	ACS Med Chem Lett 10: 846-847 (2019)	Therachem Research Medilab, LLC.	2D 3D TSV
31223435	6	Rapalogs Potential as Practical Alternatives to Rapamycin.	ACS Med Chem Lett 10: 843-845 (2019)	Therachem Research Medilab, LLC.	2D 3D TSV
31223434	6	Potential of ROCK Inhibitors as Treatment for Cardiovascular Diseases, Cancer, and More.	ACS Med Chem Lett 10: 841-842 (2019)	Therachem Research Medilab, LLC.	2D 3D TSV
31221612	20	Discovery and Biological evaluation of pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione derivatives as potent Bruton's tyrosine kinase inhibitors.	Bioorg Med Chem 27: 3390-3395 (2019)	East China University of Science & Technology	2D 3D TSV
31221611	20	Synthesis and molecular modeling of novel non-sulfonylureas as hypoglycemic agents and selective ALR2 inhibitors.	Bioorg Med Chem 27: 3383-3389 (2019)	Suez Canal University	2D 3D TSV
31221555	48	Identification and characterization of potent and selective inhibitors targeting protein tyrosine phosphatase 1B (PTP1B).	Bioorg Med Chem Lett 29: 2358-2363 (2019)	Zhejiang Sci-Tech University	2D 3D TSV
31220676	1	Structure-activity relationship studies on Bax activator SMBA1 for the treatment of ER-positive and triple-negative breast cancer.	Eur J Med Chem 178: 589-605 (2019)	University of Texas Medical Branch	2D 3D TSV
31220675	88	Preparation of bivalent agonists for targeting the mu opioid and cannabinoid receptors.	Eur J Med Chem 178: 571-588 (2019)	Biological Research Centre of the Hungarian Academy of Sciences	2D 3D TSV
31212132	43	Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38? and BRD4.	Eur J Med Chem 178: 530-543 (2019)	Newcastle University	2D 3D TSV
31208797	52	Discovery of DC_H31 as potential mutant IDH1 inhibitor through NADPH-based high throughput screening.	Bioorg Med Chem 27: 3229-3236 (2019)	Huazhong Agricultural University	2D 3D TSV
31207462	42	Dual FLT3 inhibitors: Against the drug resistance of acute myeloid leukemia in recent decade.	Eur J Med Chem 178: 468-483 (2019)	Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital	2D 3D TSV
31204226	4	Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships.	Bioorg Med Chem 27: 3299-3306 (2019)	Chinese Academy of Sciences	2D 3D TSV
31204225	55	Chemical modification-mediated optimisation of bronchodilatory activity of mepenzolate, a muscarinic receptor antagonist with anti-inflammatory activity.	Bioorg Med Chem 27: 3339-3346 (2019)	National Institute of Advanced Industrial Science and Technology (AIST)	2D 3D TSV
31202995	6	Switching on the activity of 1,5-diaryl-pyrrole derivatives against drug-resistant ESKAPE bacteria: Structure-activity relationships and mode of action studies.	Eur J Med Chem 178: 500-514 (2019)	Sapienza University of Rome	2D 3D TSV
31202993	37	Identify liver X receptor ? modulator building blocks by developing a fluorescence polarization-based competition assay.	Eur J Med Chem 178: 458-467 (2019)	Sun Yat-sen University	2D 3D TSV
31202991	31	Design, synthesis and biological evaluation of novel 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole triazole derivatives as potent TRPV1 antagonists.	Eur J Med Chem 178: 433-445 (2019)	Henan University	2D 3D TSV
31202126	25	Exploiting the 1-(4-fluorobenzyl)piperazine fragment for the development of novel tyrosinase inhibitors as anti-melanogenic agents: Design, synthesis, structural insights and biological profile.	Eur J Med Chem 178: 380-389 (2019)	Polo Universitario SS. Annunziata	2D 3D TSV
31201063	4	Synthesis of N'-propylhydrazide analogs of hydroxamic inhibitors of histone deacetylases (HDACs) and evaluation of their impact on activities of HDACs and replication of hepatitis C virus (HCV).	Bioorg Med Chem Lett 29: 2369-2374 (2019)	Russian Academy of Sciences	2D 3D TSV
31200237	95	Discovery of 6-(2-(dimethylamino)ethyl)-N-(5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole-6-yl)pyrimidin-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine as a highly potent cyclin-dependent kinase 4/6 inhibitor for treatment of cancer.	Eur J Med Chem 178: 352-364 (2019)	Shanghai Pharmaceuticals Holding Co., Ltd.	2D 3D TSV
31200236	6	Tetrazole hybrids with potential anticancer activity.	Eur J Med Chem 178: 341-351 (2019)	Henan University of Chinese Medicine	2D 3D TSV
31200235	7	Targeting dihydrofolate reductase: Design, synthesis and biological evaluation of novel 6-substituted pyrrolo[2,3-d]pyrimidines as nonclassical antifolates and as potential antitumor agents.	Eur J Med Chem 178: 329-340 (2019)	Hebei Medical University	2D 3D TSV
31199640	50	Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.	J Med Chem 62: 6540-6560 (2019)	AstraZeneca	2D 3D TSV
31199638	14	Isolation of Sesquiterpene-Amino Acid Conjugates, Onopornoids A-D, and a Flavonoid Glucoside from Onopordum alexandrinum.	J Nat Prod 82: 1471-1477 (2019)	Hiroshima University	2D 3D TSV
31199148	148	Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.	J Med Chem 62: 6575-6596 (2019)	Forma Therapeutics, Inc.	2D 3D TSV
31196755	6	Anti-oligomerization sheet molecules: Design, synthesis and evaluation of inhibitory activities against ?-synuclein aggregation.	Bioorg Med Chem 27: 3089-3096 (2019)	Zhengzhou University	2D 3D TSV
31196753	19	Synthesis of oxadiazole-coupled-thiadiazole derivatives as a potent ?-glucuronidase inhibitors and their molecular docking study.	Bioorg Med Chem 27: 3145-3155 (2019)	Imam Abdulrahman Bin Faisal University	2D 3D TSV
31195171	7	Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones.	Eur J Med Chem 178: 297-314 (2019)	University of Padova	2D 3D TSV
31195169	46	Histone acetyltransferase inhibitors: An overview in synthesis, structure-activity relationship and molecular mechanism.	Eur J Med Chem 178: 259-286 (2019)	Sichuan University	2D 3D TSV
31194549	57	PeIA-5466: A Novel Peptide Antagonist Containing Non-natural Amino Acids That Selectively Targets ?3?2 Nicotinic Acetylcholine Receptors.	J Med Chem 62: 6262-6275 (2019)	Veterans Affairs Medical Center	2D 3D TSV
31194544	2	Discovery of Ziresovir as a Potent, Selective, and Orally Bioavailable Respiratory Syncytial Virus Fusion Protein Inhibitor.	J Med Chem 62: 6003-6014 (2019)	Roche Pharma Research and Early Development	2D 3D TSV
31188592	39	Why Some Targets Benefit from beyond Rule of Five Drugs.	J Med Chem 62: 10005-10025 (2019)	Boston University	2D 3D TSV
31188588	1	Identification of Ezetimibe and Pranlukast as Pharmacological Chaperones for the Treatment of the Rare Disease Mucopolysaccharidosis Type IVA.	J Med Chem 62: 6175-6189 (2019)	Universidad Nacional de Colombia	2D 3D TSV
31187989	11	De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX.	J Med Chem 62: 6377-6390 (2019)	University of Toronto	2D 3D TSV
31185414	86	Discovery of novel benzofuran-based compounds with neuroprotective and immunomodulatory properties for Alzheimer's disease treatment.	Eur J Med Chem 178: 243-258 (2019)	Alma Mater Studiorum-University of Bologna	2D 3D TSV
31185413	45	Discovery of novel Bcr-Abl	Eur J Med Chem 178: 232-242 (2019)	Xi'an Jiaotong University	2D 3D TSV
31185410	2	Design, synthesis, antitumor activities and biological studies of novel diaryl substituted fused heterocycles as dual ligands targeting tubulin and katanin.	Eur J Med Chem 178: 177-194 (2019)	Fudan University	2D 3D TSV
31185168	144	Functionalized 6-(Piperidin-1-yl)-8,9-Diphenyl Purines as Peripherally Restricted Inverse Agonists of the CB1 Receptor.	J Med Chem 62: 6330-6345 (2019)	RTI International	2D 3D TSV
31181882	6	A Potent Isoprenylcysteine Carboxylmethyltransferase (ICMT) Inhibitor Improves Survival in Ras-Driven Acute Myeloid Leukemia.	J Med Chem 62: 6035-6046 (2019)	Universidad Complutense de Madrid	2D 3D TSV
31181405	33	Inhibitory selectivity among class I HDACs has a major impact on inflammatory gene expression in macrophages.	Eur J Med Chem 177: 457-466 (2019)	University of Groningen	2D 3D TSV
31178269	2	Synthesis of N-hydroxycinnamoyl amide derivatives and evaluation of their anti-oxidative and anti-tyrosinase activities.	Bioorg Med Chem 27: (2019)	Beijing Technology and Business University	2D 3D TSV
31178268	12	Design, synthesis and biological evaluation of novel aryl-acrylic derivatives as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors.	Bioorg Med Chem 27: 3135-3144 (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31177777	54	Improvement of Asparagine Ethylenediamines as Anti-malarial	J Med Chem 62: 6137-6145 (2019)	Weill Cornell Medicine	2D 3D TSV
31177074	4	Synthesis and anti-tumor efficacy of novel 2, 4-diarylaminopyrimidine derivatives bearing N-(3-pyridinylmethyl) urea moiety as anaplastic lymphoma kinase inhibitors.	Eur J Med Chem 178: 141-153 (2019)	Peking University Health Science Center	2D 3D TSV
31177073	22	Discovery of 1,2,4-oxadiazole-Containing hydroxamic acid derivatives as histone deacetylase inhibitors potential application in cancer therapy.	Eur J Med Chem 178: 116-130 (2019)	Sichuan University and Collaborative Innovation Center of Biotherapy	2D 3D TSV
31176700	36	Identification of substituted benzothiazole sulfones as potent and selective inhibitors of endothelial lipase.	Bioorg Med Chem Lett 29: 1918-1921 (2019)	Bristol-Myers Squibb	2D 3D TSV
31176699	27	Development of substituted pyrido[3,2-d]pyrimidines as potent and selective dihydrofolate reductase inhibitors for pneumocystis pneumonia infection.	Bioorg Med Chem Lett 29: 1874-1880 (2019)	Duquesne University	2D 3D TSV
31176698	15	Backbone modifications in peptidic inhibitors of flaviviral proteases.	Bioorg Med Chem Lett 29: 1913-1917 (2019)	Heidelberg University	2D 3D TSV
31176571	24	Naphthalene-triazolopyrimidine hybrid compounds as potential multifunctional anti-Alzheimer's agents.	Bioorg Med Chem 27: 3156-3166 (2019)	Jamia Millia Islamia (Central University)	2D 3D TSV
31176569	29	Nature-inspired pyrrolo[2,3-d]pyrimidines targeting the histamine H	Bioorg Med Chem 27: 3194-3200 (2019)	Heinrich Heine University D£sseldorf	2D 3D TSV
31176568	34	Alkylsulfonamide-containing quinazoline derivatives as potent and orally bioavailable PI3Ks inhibitors.	Bioorg Med Chem 27: (2019)	Xi'an Jiaotong University	2D 3D TSV
31176565	9	New pyrazolopyrimidine derivatives as Leishmania amazonensis arginase inhibitors.	Bioorg Med Chem 27: 3061-3069 (2019)	Instituto de Tecnologia em Farmacos	2D 3D TSV
31176098	33	Development of potential preclinical candidates with promising in vitro ADME profile for the inhibition of type 1 and type 2 17?-Hydroxysteroid dehydrogenases: Design, synthesis, and biological evaluation.	Eur J Med Chem 178: 93-107 (2019)	Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)	2D 3D TSV
31176096	44	Design, synthesis and biological evaluation of "Multi-Site"-binding influenza virus neuraminidase inhibitors.	Eur J Med Chem 178: 64-80 (2019)	Shandong University	2D 3D TSV
31175010	106	Synthesis and structure activity relationships of a series of 4-amino-1H-pyrazoles as covalent inhibitors of CDK14.	Bioorg Med Chem Lett 29: 1985-1993 (2019)	Harvard Medical School	2D 3D TSV
31174062	12	1-Phenyl-dihydrobenzoindazoles as novel colchicine site inhibitors: Structural basis and antitumor efficacy.	Eur J Med Chem 177: 448-456 (2019)	Second Military Medical University	2D 3D TSV
31167153	8	An overview on the synthetic and medicinal perspectives of indenopyrazoles.	Eur J Med Chem 178: 1-12 (2019)	CSIR-Indian Institute of Chemical Technology	2D 3D TSV
31160177	26	Chalcone derivatives bearing chromen or benzo[f]chromen moieties: Design, synthesis, and evaluations of anti-inflammatory, analgesic, selective COX-2 inhibitory activities.	Bioorg Med Chem Lett 29: 1909-1912 (2019)	Zhejiang Ocean University	2D 3D TSV
31160176	22	Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections.	Bioorg Med Chem Lett 29: 2410-2414 (2019)	GlaxoSmithKline	2D 3D TSV
31160175	5	3H-Imidazo[4,5-b]pyridine-6-carboxylic acid derivatives as rexinoids with reduced teratogenicity.	Bioorg Med Chem Lett 29: 1891-1894 (2019)	Okayama University Graduate School of Medicine	2D 3D TSV
31158755	26	Design, synthesis and biological evaluation of 2-H pyrazole derivatives containing morpholine moieties as highly potent small molecule inhibitors of APC-Asef interaction.	Eur J Med Chem 177: 425-447 (2019)	Nanjing University	2D 3D TSV
31158754	47	Investigating 1,2,3,4,5,6-hexahydroazepino[4,3-b]indole as scaffold of butyrylcholinesterase-selective inhibitors with additional neuroprotective activities for Alzheimer's disease.	Eur J Med Chem 177: 414-424 (2019)	University of Bari Aldo Moro	2D 3D TSV
31158752	6	Enhanced tumor retention of NTSR1-targeted agents by employing a hydrophilic cysteine cathepsin inhibitor.	Eur J Med Chem 177: 386-400 (2019)	University of Nebraska Medical Center	2D 3D TSV
31158750	23	Design and synthesis of novel xanthone-triazole derivatives as potential antidiabetic agents: ?-Glucosidase inhibition and glucose uptake promotion.	Eur J Med Chem 177: 362-373 (2019)	Sun Yat-sen University	2D 3D TSV
31158747	257	C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.	Eur J Med Chem 177: 316-337 (2019)	Institute of Cancer Research	2D 3D TSV
31158744	53	Design and synthesis of 3-aminophthalazine derivatives and structural analogues as PDE5 inhibitors: anti-allodynic effect against neuropathic pain in a mouse model.	Eur J Med Chem 177: 269-290 (2019)	Universit£ de Strasbourg	2D 3D TSV
31158743	13	Caffeic acid phenethyl ester (CAPE)-derivatives act as selective inhibitors of acetylcholinesterase.	Eur J Med Chem 177: 259-268 (2019)	Martin-Luther-University Halle-Wittenberg	2D 3D TSV
31158742	16	Development of the "hidden" multifunctional agents for Alzheimer's disease.	Eur J Med Chem 177: 247-258 (2019)	Zhejiang Academy of Medical Sciences	2D 3D TSV
31157974	104	Potent 5-Cyano-6-phenyl-pyrimidin-Based Derivatives Targeting DCN1-UBE2M Interaction.	J Med Chem 62: 5382-5403 (2019)	Zhengzhou University	2D 3D TSV
31153806	11	Discovery of naphthacemycins as a novel class of PARP1 inhibitors.	Bioorg Med Chem Lett 29: 1904-1908 (2019)	North China Pharmaceutical Group Corporation	2D 3D TSV
31153805	54	Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase.	Bioorg Med Chem Lett 29: 1962-1967 (2019)	AstraZeneca	2D 3D TSV
31153804	13	Chemical conversion of nicotinamide into type I positive allosteric modulator of ?7 nAChRs.	Bioorg Med Chem Lett 29: 1928-1933 (2019)	Peking University	2D 3D TSV
31151791	35	Development of covalent antagonists for ?1- and ?2-adrenergic receptors.	Bioorg Med Chem 27: 2959-2971 (2019)	Friedrich-Alexander Universit£t Erlangen-N£rnberg	2D 3D TSV
31151068	5	Andrographolide: A natural product template for the generation of structurally and biologically diverse diterpenes.	Eur J Med Chem 176: 513-533 (2019)	Institute of Higher Learning	2D 3D TSV
31151057	52	Dipropargyl substituted diphenylpyrimidines as dual inhibitors of monoamine oxidase and acetylcholinesterase.	Eur J Med Chem 177: 221-234 (2019)	Central University of Punjab	2D 3D TSV
31147104	8	Discovery of conolidine derivative DS39201083 as a potent novel analgesic without mu opioid agonist activity.	Bioorg Med Chem Lett 29: 1938-1942 (2019)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
31147103	6	Determining the necessity of phenyl ring ?-character in warfarin.	Bioorg Med Chem Lett 29: 1954-1956 (2019)	University of Queensland	2D 3D TSV
31145622	91	Identification and Optimization of Novel Cathepsin C Inhibitors Derived from EGFR Inhibitors.	J Med Chem 62: 5901-5919 (2019)	National Institute of Biological Sciences (NIBS)	2D 3D TSV
31144814	10	Identification of Diketopiperazine-Containing 2-Anilinobenzamides as Potent Sirtuin 2 (SIRT2)-Selective Inhibitors Targeting the "Selectivity Pocket", Substrate-Binding Site, and NAD	J Med Chem 62: 5844-5862 (2019)	Kyoto Prefectural University of Medicine	2D 3D TSV
31138472	35	Design, synthesis and structure activity relationships of indazole and indole derivatives as potent glucagon receptor antagonists.	Bioorg Med Chem Lett 29: 1974-1980 (2019)	Janssen Research & Development, L.L.C.	2D 3D TSV
31138471	29	Naturally occurring biflavonoids with amyloid ? aggregation inhibitory activity for development of anti-Alzheimer agents.	Bioorg Med Chem Lett 29: 1994-1997 (2019)	Meiji Pharmaceutical University	2D 3D TSV
31138459	50	Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.	Bioorg Med Chem 27: 2905-2913 (2019)	Biogen Inc.	2D 3D TSV
31136894	46	Design, synthesis, and biological evaluation of rutacecarpine derivatives as multitarget-directed ligands for the treatment of Alzheimer's disease.	Eur J Med Chem 177: 198-211 (2019)	Anhui Medical University	2D 3D TSV
31136893	176	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.	Eur J Med Chem 177: 188-197 (2019)	University of Florence	2D 3D TSV
31136173	45	Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.	J Med Chem 62: 5810-5831 (2019)	KU Leuven	2D 3D TSV
31133534	32	Discovery of ABT-957: 1-Benzyl-5-oxopyrrolidine-2-carboxamides as selective calpain inhibitors with enhanced metabolic stability.	Bioorg Med Chem Lett 29: 1968-1973 (2019)	AbbVie Deutschland GmbH & Co. KG	2D 3D TSV
31132532	16	SAR study of celastrol analogs targeting Nur77-mediated inflammatory pathway.	Eur J Med Chem 177: 171-187 (2019)	Xiamen University	2D 3D TSV
31129455	4	Developments in the anticancer activity of structurally modified curcumin: An up-to-date review.	Eur J Med Chem 177: 76-104 (2019)	Manipal Academy of Higher Education	2D 3D TSV
31129454	51	The chemical biology of apoptosis: Revisited after 17 years.	Eur J Med Chem 177: 63-75 (2019)	Tsinghua University	2D 3D TSV
31129453	55	Tetrahydro-3-benzazepines with fluorinated side chains as NMDA and ?	Eur J Med Chem 177: 47-62 (2019)	Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster	2D 3D TSV
31129452	10	Discovery of 2,4-diarylaminopyrimidine derivatives bearing dithiocarbamate moiety as novel FAK inhibitors with antitumor and anti-angiogenesis activities.	Eur J Med Chem 177: 32-46 (2019)	Peking University Health Science Center	2D 3D TSV
31129450	72	Estrogen signaling: An emanating therapeutic target for breast cancer treatment.	Eur J Med Chem 177: 116-143 (2019)	Indian Institute of Technology (BHU)	2D 3D TSV
31129449	24	Development of novel human lactate dehydrogenase A inhibitors: High-throughput screening, synthesis, and biological evaluations.	Eur J Med Chem 177: 105-115 (2019)	Hubei University of Medicine	2D 3D TSV
31129054	10	A high throughput substrate binding assay reveals hexachlorophene as an inhibitor of the ER-resident HSP70 chaperone GRP78.	Bioorg Med Chem Lett 29: 1689-1693 (2019)	University of Arizona	2D 3D TSV
31128993	22	Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.	Bioorg Med Chem 27: 2935-2947 (2019)	Charles University	2D 3D TSV
31128990	38	Design, synthesis, and biological evaluation of novel 4-oxobenzo[d]1,2,3-triazin-benzylpyridinum derivatives as potent anti-Alzheimer agents.	Bioorg Med Chem 27: 2914-2922 (2019)	University of Zanjan	2D 3D TSV
31128449	3	Development of selective small molecule MDM2 degraders based on nutlin.	Eur J Med Chem 176: 476-491 (2019)	University of Wisconsin-Madison	2D 3D TSV
31128447	32	Recent update on anti-dengue drug discovery.	Eur J Med Chem 176: 431-455 (2019)	Queensland University of Technology	2D 3D TSV
31125226	2	Transformation of Santonin to a Naproxen Analogue with Anti-Inflammatory Activity.	J Nat Prod 82: 1710-1713 (2019)	Indian Institute of Integrative Medicine (CSIR)	2D 3D TSV
31122869	40	Design and synthesis of a novel series of cyanoindole derivatives as potent ?-secretase modulators.	Bioorg Med Chem Lett 29: 1737-1745 (2019)	Janssen Research & Development	2D 3D TSV
31121430	22	Molecular design and anticancer activities of small-molecule monopolar spindle 1 inhibitors: A Medicinal chemistry perspective.	Eur J Med Chem 175: 247-268 (2019)	Jilin University	2D 3D TSV
31120744	17	Hydroxamic Acid Derivatives of ?-Carboline/Hydroxycinnamic Acid Hybrids Inducing Apoptosis and Autophagy through the PI3K/Akt/mTOR Pathways.	J Nat Prod 82: 1442-1450 (2019)	Nantong University	2D 3D TSV
31120251	2	Caspase-Dependent Apoptosis in Prostate Cancer Cells and Zebrafish by Corchorusoside C from Streptocaulon juventas.	J Nat Prod 82: 1645-1655 (2019)	University of Illinois at Chicago	2D 3D TSV
31117524	1	Isolation and Biological Activity of 8- Epitetrodotoxin and the Structure of a Possible Biosynthetic Shunt Product of Tetrodotoxin, Cep-226A, from the Newt Cynops ensicauda popei.	J Nat Prod 82: 1656-1663 (2019)	Tohoku University	2D 3D TSV
31117518	2	From Inhibition to Degradation: Targeting the Antiapoptotic Protein Myeloid Cell Leukemia 1 (MCL1).	J Med Chem 62: 5522-5540 (2019)	University of Calgary	2D 3D TSV
31117517	103	Design, Synthesis, and Biological Evaluation of 4-Methyl Quinazoline Derivatives as Anticancer Agents Simultaneously Targeting Phosphoinositide 3-Kinases and Histone Deacetylases.	J Med Chem 62: 6992-7014 (2019)	TBA	2D 3D TSV
31117516	102	Development of Peptide-Based Sirtuin Defatty-Acylase Inhibitors Identified by the Fluorescence Probe, SFP3, That Can Efficiently Measure Defatty-Acylase Activity of Sirtuin.	J Med Chem 62: 5434-5452 (2019)	Nagoya City University	2D 3D TSV
31117515	60	Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.	J Med Chem 62: 5414-5433 (2019)	Chinese Academy of Sciences	2D 3D TSV
31117514	167	Five-Membered N-Heterocyclic Scaffolds as Novel Amino Bioisosteres at ?-Aminobutyric Acid (GABA) Type A Receptors and GABA Transporters.	J Med Chem 62: 5797-5809 (2019)	University of Copenhagen	2D 3D TSV
31112894	384	Synthetic heterocyclic candidates as promising ?-glucosidase inhibitors: An overview.	Eur J Med Chem 176: 343-377 (2019)	Babasaheb Bhimrao Ambedkar University (A Central University)	2D 3D TSV
31112893	8	An update about the crucial role of stereochemistry on the effects of Peroxisome Proliferator-Activated Receptor ligands.	Eur J Med Chem 176: 326-342 (2019)	Universit£ Degli Studi di Bari "Aldo Moro"	2D 3D TSV
31112892	84	1,3-Dioxane as a scaffold for potent and selective 5-HT	Eur J Med Chem 176: 310-325 (2019)	Universit£ degli Studi di Modena e Reggio Emilia	2D 3D TSV
31112891	30	Multi-targeting protein-protein interaction inhibitors: Evolution of macrocyclic ligands with embedded carbohydrates (MECs) to improve selectivity.	Eur J Med Chem 176: 292-309 (2019)	National University of Ireland Galway	2D 3D TSV
31109791	36	Design, synthesis and biological evaluation of indane derived GPR40 agoPAMs.	Bioorg Med Chem Lett 29: 1842-1848 (2019)	Merck & Co.	2D 3D TSV
31108261	7	Synthesis and biological evaluation of novel xanthine derivatives as potential apoptotic antitumor agents.	Eur J Med Chem 176: 117-128 (2019)	Deraya University	2D 3D TSV
31104995	22	Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization.	Bioorg Med Chem Lett 29: 1854-1858 (2019)	Merck & Co.	2D 3D TSV
31104785	2	Capsaicin-like analogue induced selective apoptosis in A2058 melanoma cells: Design, synthesis and molecular modeling.	Bioorg Med Chem 27: 2893-2904 (2019)	University of S£o Paulo	2D 3D TSV
31103904	7	Natural products as multidrug resistance modulators in cancer.	Eur J Med Chem 176: 268-291 (2019)	Central University of Punjab	2D 3D TSV
31103903	47	Combining structure- and property-based optimization to identify selective FLT3-ITD inhibitors with good antitumor efficacy in AML cell inoculated mouse xenograft model.	Eur J Med Chem 176: 248-267 (2019)	China Pharmaceutical University	2D 3D TSV
31103902	41	Multi-target design strategies for the improved treatment of Alzheimer's disease.	Eur J Med Chem 176: 228-247 (2019)	China Pharmaceutical University	2D 3D TSV
31103900	36	Thioether-based 2-aminobenzamide derivatives: Novel HDAC inhibitors with potent in vitro and in vivo antitumor activity.	Eur J Med Chem 176: 195-207 (2019)	Beijing University of Chemical Technology	2D 3D TSV
31103899	15	Synthesis and structure-activity relationships of small-molecular di-basic esters, amides and carbamates as flaviviral protease inhibitors.	Eur J Med Chem 176: 187-194 (2019)	Heidelberg University	2D 3D TSV
31103446	24	Design, synthesis and biological evaluation of benzimidazole derivatives as novel human Pin1 inhibitors.	Bioorg Med Chem Lett 29: 1859-1863 (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31103445	16	Synthesis and biological evaluation of acylthiourea against DUSP1 inhibition.	Bioorg Med Chem Lett 29: 1746-1748 (2019)	Anticancer Agent Research Center	2D 3D TSV
31101493	1	Identification and immunological evaluation of novel TLR2 agonists through structure optimization of Pam	Bioorg Med Chem 27: 2784-2800 (2019)	Fudan University	2D 3D TSV
31101471	11	Discovery of novel pyridazine derivatives as glucose transporter type 4 (GLUT4) translocation activators.	Bioorg Med Chem Lett 29: 1785-1790 (2019)	Daiichi Sankyo Co, Ltd	2D 3D TSV
31100649	40	The past, present and future of potential small-molecule drugs targeting p53-MDM2/MDMX for cancer therapy.	Eur J Med Chem 176: 92-104 (2019)	Sichuan University	2D 3D TSV
31099568	18	Nitric Oxide-Releasing Selective Estrogen Receptor Modulators: A Bifunctional Approach to Improve the Therapeutic Index.	J Med Chem 62: 6525-6539 (2019)	Helmholtz-Zentrum Dresden-Rossendorf	2D 3D TSV
31099559	36	Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.	J Med Chem 62: 5579-5593 (2019)	Shanghai Institute of Materia Medica	2D 3D TSV
31098002	25	Unnatural Tripeptides as Potent Positive Allosteric Modulators of T1R2/T1R3.	ACS Med Chem Lett 10: 800-805 (2019)	Ajinomoto Co., Inc.	2D 3D TSV
31098001	35	Synthesis and Pharmacological Evaluation of Noncatechol G Protein Biased and Unbiased Dopamine D1 Receptor Agonists.	ACS Med Chem Lett 10: 792-799 (2019)	University of Texas Medical Branch	2D 3D TSV
31098000	63	Discovery of CDK5 Inhibitors through Structure-Guided Approach.	ACS Med Chem Lett 10: 786-791 (2019)	University of South Australia	2D 3D TSV
31097999	18	Discovery of GSK8612, a Highly Selective and Potent TBK1 Inhibitor.	ACS Med Chem Lett 10: 780-785 (2019)	Cellzome GmbH	2D 3D TSV
31097997	21	Identification of New Small-Molecule Inducers of Estrogen-related Receptor ? (ERR?) Degradation.	ACS Med Chem Lett 10: 767-772 (2019)	Jinan University	2D 3D TSV
31097995	8	Discovery of BNC375, a Potent, Selective, and Orally Available Type I Positive Allosteric Modulator of ?7 nAChRs.	ACS Med Chem Lett 10: 754-760 (2019)	Bionomics Limited	2D 3D TSV
31097992	21	Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.	ACS Med Chem Lett 10: 737-742 (2019)	Daiichi Sankyo Co., Ltd.	2D 3D TSV
31097402	13	Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of ?-aminobutyric acid transporter 1 (GAT1).	Bioorg Med Chem 27: 2753-2763 (2019)	Ludwig Maximilians-Universit£t M£nchen	2D 3D TSV
31096156	55	Discovery and synthesis of novel indole derivatives-containing 3-methylenedihydrofuran-2(3H)-one as irreversible LSD1 inhibitors.	Eur J Med Chem 175: 357-372 (2019)	Zhengzhou University	2D 3D TSV
31096155	13	Discovery of Dioxino[2,3-f]quinazoline derivative VEGFR-2 inhibitors exerting significant antipro-liferative activity in HUVECs and mice.	Eur J Med Chem 175: 349-356 (2019)	Beijing University of Technology	2D 3D TSV
31096154	39	Structure-guided optimization of 4,6-substituted-1,3,5-triazin-2(1H)-ones as catalytic inhibitors of human DNA topoisomerase II?.	Eur J Med Chem 175: 330-348 (2019)	Slovenia; University of Ljubljana	2D 3D TSV
31096153	90	Pyridinylimidazoles as dual glycogen synthase kinase 3?/p38? mitogen-activated protein kinase inhibitors.	Eur J Med Chem 175: 309-329 (2019)	Eberhard Karls Universit£t T£bingen	2D 3D TSV
31095389	29	Diketopiperazine-Type Alkaloids from a Deep-Sea-Derived Aspergillus puniceus Fungus and Their Effects on Liver X Receptor ?.	J Nat Prod 82: 1558-1564 (2019)	Chinese Academy of Sciences	2D 3D TSV
31095386	109	Covalent Inhibitors of Protein-Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues.	J Med Chem 62: 5616-5627 (2019)	TBA	2D 3D TSV
31095385	38	-(7-Cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[	J Med Chem 62: 6665-6681 (2019)	Ningxia Medical University	2D 3D TSV
31091479	10	Assessment of quinazolinone derivatives as novel non-nucleoside hepatitis B virus inhibitors.	Eur J Med Chem 176: 41-49 (2019)	Xuzhou Medical University	2D 3D TSV
31091477	7	Synthesis and biological evaluation of dihydroquinazoline-2-amines as potent non-nucleoside reverse transcriptase inhibitors of wild-type and mutant HIV-1 strains.	Eur J Med Chem 176: 11-20 (2019)	Fudan University	2D 3D TSV
31088715	75	Synthesis, biological evaluation, and molecular docking study of sulfonate derivatives as nucleotide pyrophosphatase/phosphodiesterase (NPP) inhibitors.	Bioorg Med Chem 27: 2741-2752 (2019)	University of Sharjah	2D 3D TSV
31088713	2	Fasudil dichloroacetate (FDCA), an orally available agent with potent therapeutic efficiency on monocrotaline-induced pulmonary arterial hypertension rats.	Bioorg Med Chem Lett 29: 1812-1818 (2019)	The First Affiliated Hospital of Nanjing Medical University	2D 3D TSV
31084949	4	Novel benzothiazole hydrazine carboxamide hybrid scaffolds as potential in vitro GABA AT enzyme inhibitors: Synthesis, molecular docking and antiepileptic evaluation.	Bioorg Med Chem Lett 29: 1825-1830 (2019)	Jouf University	2D 3D TSV
31083990	2	Structural Tailoring of a Novel Fluorescent IRE-1 RNase Inhibitor to Precisely Control Its Activity.	J Med Chem 62: 5404-5413 (2019)	The Wistar Institute	2D 3D TSV
31083946	2	Hydroxyl Groups in Synthetic and Natural-Product-Derived Therapeutics: A Perspective on a Common Functional Group.	J Med Chem 62: 8915-8930 (2019)	University of Basel	2D 3D TSV
31082765	11	Structure-activity relationship and synthetic methodologies of ?-santonin derivatives with diverse bioactivities: A mini-review.	Eur J Med Chem 175: 215-233 (2019)	Shanghai Ocean University	2D 3D TSV
31082764	3	Design, synthesis and pharmacological evaluation of a novel mTOR-targeted anti-EV71 agent.	Eur J Med Chem 175: 172-186 (2019)	National Engineering Research Center for the Emergency Drug	2D 3D TSV
31082763	10	Discovery of tropinone-thiazole derivatives as potent caspase 3/7 activators, and noncompetitive tyrosinase inhibitors with high antiproliferative activity: Rational design, one-pot tricomponent synthesis, and lipophilicity determination.	Eur J Med Chem 175: 162-171 (2019)	Nicolaus Copernicus University	2D 3D TSV
31082234	14	Development of Small-Molecules Targeting Receptor Activator of Nuclear Factor-?B Ligand (RANKL)-Receptor Activator of Nuclear Factor-?B (RANK) Protein-Protein Interaction by Structure-Based Virtual Screening and Hit Optimization.	J Med Chem 62: 5370-5381 (2019)	Shanghai Jiaotong University School of Medicine	2D 3D TSV
31082230	90	Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.	J Med Chem 62: 6223-6240 (2019)	Genentech	2D 3D TSV
31082225	26	Rational Design of Multitarget-Directed Ligands: Strategies and Emerging Paradigms.	J Med Chem 62: 8881-8914 (2019)	China Pharmaceutical University	2D 3D TSV
31079967	43	Design, synthesis and evaluation of sulfonylurea-containing 4-phenoxyquinolines as highly selective c-Met kinase inhibitors.	Bioorg Med Chem 27: 2801-2812 (2019)	School of Marine Science and Technology	2D 3D TSV
31079964	35	Design, synthesis and preliminary bioactivity studies of indomethacin derivatives as Bcl-2/Mcl-1 dual inhibitors.	Bioorg Med Chem 27: 2771-2783 (2019)	Shandong University	2D 3D TSV
31079449	64	Design, Synthesis, and Preclinical Efficacy of Novel Nonretinoid Antagonists of Retinol-Binding Protein 4 in the Mouse Model of Hepatic Steatosis.	J Med Chem 62: 5470-5500 (2019)	Albany College of Pharmacy and Health Sciences	2D 3D TSV
31078412	33	Structure based designing of triazolopyrimidone-based reversible inhibitors for kinases involved in NSCLC.	Bioorg Med Chem Lett 29: 1565-1571 (2019)	Punjabi University	2D 3D TSV
31078410	5	A new lateral root growth inhibitor from the sponge-derived fungus Aspergillus sp. LS45.	Bioorg Med Chem Lett 29: 1593-1596 (2019)	Ningbo University	2D 3D TSV
31077998	81	Targeting tropomyosin receptor kinase for cancer therapy.	Eur J Med Chem 175: 129-148 (2019)	China Pharmaceutical University	2D 3D TSV
31077996	23	Ligand retargeting by binding site analogy.	Eur J Med Chem 175: 107-113 (2019)	University of Zurich	2D 3D TSV
31075609	21	Exploring the effect of chirality on the therapeutic potential of N-alkyl-deoxyiminosugars: anti-inflammatory response to Pseudomonas aeruginosa infections for application in CF lung disease.	Eur J Med Chem 175: 63-71 (2019)	University of Napoli Federico II	2D 3D TSV
31074988	95	Rational Design of 5-(4-(Isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine (VX-970, M6620): Optimization of Intra- and Intermolecular Polar Interactions of a New Ataxia Telangiectasia Mutated and Rad3-Related (ATR) Kinase Inhibitor.	J Med Chem 62: 5547-5561 (2019)	Vertex Pharmaceuticals (Europe) Ltd.	2D 3D TSV
31074986	25	On the Process of Discovering Leads That Target the Heparin-Binding Site of Neutrophil Elastase in the Sputum of Cystic Fibrosis Patients.	J Med Chem 62: 5501-5511 (2019)	Virginia Commonwealth University	2D 3D TSV
31074983	202	Conjugation of Short Peptides to Dibenzodiazepinone-Type Muscarinic Acetylcholine Receptor Ligands Determines M	J Med Chem 62: 5358-5369 (2019)	University of Regensburg	2D 3D TSV
31074269	6	Mechanisms of Specific versus Nonspecific Interactions of Aggregation-Prone Inhibitors and Attenuators.	J Med Chem 62: 5063-5079 (2019)	University Health Network	2D 3D TSV
31071549	80	5-Arylisothiazol-3(2H)-one-1,(1)-(di)oxides: A new class of selective tumor-associated carbonic anhydrases (hCA IX and XII) inhibitors.	Eur J Med Chem 175: 40-48 (2019)	Universit£ de Reims Champagne-Ardenne	2D 3D TSV
31071548	5	Recent progress on the discovery of P2Y	Eur J Med Chem 175: 34-39 (2019)	China Pharmaceutical University	2D 3D TSV
31070916	14	Anti-metastatic Inhibitors of Lysyl Oxidase (LOX): Design and Structure-Activity Relationships.	J Med Chem 62: 5863-5884 (2019)	The Institute of Cancer Research	2D 3D TSV
31062983	83	Exploiting Structural Dynamics To Design Open-Flap Inhibitors of Malarial Aspartic Proteases.	J Med Chem 62: 8931-8950 (2019)	Latvian Institute of Organic Synthesis	2D 3D TSV
31062592	36	Falcipain Inhibitors Based on the Natural Product Gallinamide A Are Potent in Vitro and in Vivo Antimalarials.	J Med Chem 62: 5562-5578 (2019)	The University of Sydney	2D 3D TSV
31059256	28	Design and Discovery of	J Med Chem 63: 2013-2027 (2020)	Novartis Institutes for BioMedical Research	2D 3D TSV
31059248	20	Structure Guided Design, Synthesis, and Biological Evaluation of Novel Benzosuberene Analogues as Inhibitors of Tubulin Polymerization.	J Med Chem 62: 5594-5615 (2019)	Baylor University	2D 3D TSV
31055149	22	A multifunctional therapeutic approach: Synthesis, biological evaluation, crystal structure and molecular docking of diversified 1H-pyrazolo[3,4-b]pyridine derivatives against Alzheimer's disease.	Eur J Med Chem 175: 2-19 (2019)	Jamia Millia Islamia (Central University)	2D 3D TSV
31054862	14	1-Aryl-3-(4-methoxybenzyl)ureas as potentially irreversible glycogen synthase kinase 3 inhibitors: Synthesis and biological evaluation.	Bioorg Med Chem Lett 29: 1597-1600 (2019)	Stellenbosch University	2D 3D TSV
31053508	34	Discovery of novel phenoxybenzamide analogues as Raf/HDAC dual inhibitors.	Bioorg Med Chem Lett 29: 1605-1608 (2019)	China Pharmaceutical University	2D 3D TSV
31050898	38	The Trifluoromethyl Group as a Bioisosteric Replacement of the Aliphatic Nitro Group in CB	J Med Chem 62: 5049-5062 (2019)	University of Aberdeen	2D 3D TSV
31050421	48	Overview of Recent Strategic Advances in Medicinal Chemistry.	J Med Chem 62: 9375-9414 (2019)	Shandong University	2D 3D TSV
31048140	2	Acylated sulfonamide adenosines as potent inhibitors of the adenylate-forming enzyme superfamily.	Eur J Med Chem 174: 252-264 (2019)	KU Leuven	2D 3D TSV
31047751	3	Design, synthesis and biological evaluation of novel antitumor spirodihydrothiopyran-oxindole derivatives.	Bioorg Med Chem Lett 29: 1636-1642 (2019)	Shaanxi University of Science & Technology	2D 3D TSV
31047750	845	Dual-targeting GroEL/ES chaperonin and protein tyrosine phosphatase B (PtpB) inhibitors: A polypharmacology strategy for treating Mycobacterium tuberculosis infections.	Bioorg Med Chem Lett 29: 1665-1672 (2019)	Indiana University School of Medicine	2D 3D TSV
31046271	21	Discovery of ( E)- N	J Med Chem 62: 5006-5024 (2019)	Chinese Academy of Sciences	2D 3D TSV
31042618	26	Synthesis, in vitro and in vivo characterization of new benzoxazole and benzothiazole-based sigma receptor ligands.	Eur J Med Chem 174: 226-235 (2019)	University of Catania	2D 3D TSV
31042381	166	Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.	J Med Chem 62: 5330-5357 (2019)	St. John's University	2D 3D TSV
31042379	96	Hybridization of ?-Adrenergic Agonists and Antagonists Confers G Protein Bias.	J Med Chem 62: 5111-5131 (2019)	Friedrich-Alexander University Erlangen-N£rnberg (FAU)	2D 3D TSV
31038950	104	Substituted Pyridazin-3(2 H)-ones as Highly Potent and Biased Formyl Peptide Receptor Agonists.	J Med Chem 62: 5242-5248 (2019)	Monash University	2D 3D TSV
31038949	2	Cytotoxic Components from Hypericum elodeoides Targeting RXR? and Inducing HeLa Cell Apoptosis through Caspase-8 Activation and PARP Cleavage.	J Nat Prod 82: 1072-1080 (2019)	Xiamen University	2D 3D TSV
31035240	22	InCl	Eur J Med Chem 174: 198-215 (2019)	University of Hyderabad Campus	2D 3D TSV
31035238	3	Small molecule PROTACs in targeted therapy: An emerging strategy to induce protein degradation.	Eur J Med Chem 174: 159-180 (2019)	Shaoxing University	2D 3D TSV
31035236	2	Review of the molecular mechanisms of Ganoderma lucidum triterpenoids: Ganoderic acids A, C2, D, F, DM, X and Y.	Eur J Med Chem 174: 130-141 (2019)	Shaanxi University of Science & Technology	2D 3D TSV
31034224	24	Discovery of Small Molecule Renal Outer Medullary Potassium (ROMK) Channel Inhibitors: A Brief History of Medicinal Chemistry Approaches To Develop Novel Diuretic Therapeutics.	J Med Chem 62: 8682-8694 (2019)	University of Nebraska Medical Center	2D 3D TSV
31033293	77	Discovery, Optimization, and Evaluation of Potent and Highly Selective PI3K?-PI3K? Dual Inhibitors.	J Med Chem 62: 4936-4948 (2019)	Hutchison MediPharma Limited	2D 3D TSV
31033289	8	Consideration of Binding Kinetics in the Design of Stapled Peptide Mimics of the Disordered Proteins Eukaryotic Translation Initiation Factor 4E-Binding Protein 1 and Eukaryotic Translation Initiation Factor 4G.	J Med Chem 62: 4967-4978 (2019)	University of Michigan	2D 3D TSV
31031055	53	Synthesis and SAR development of quinoline analogs as novel P2X7 receptor antagonists.	Bioorg Med Chem Lett 29: 1660-1664 (2019)	EMD Serono Research and Development Institute	2D 3D TSV
31029943	13	Benzoic acid-derived nitrones: A new class of potential acetylcholinesterase inhibitors and neuroprotective agents.	Eur J Med Chem 174: 116-129 (2019)	University of Porto	2D 3D TSV
31029551	64	Design, synthesis and biological evaluation of novel chromeno[4,3-c]pyrazol-4(2H)-one derivates containing sulfonamido as potential PI3K? inhibitors.	Bioorg Med Chem 27: 2261-2267 (2019)	School of Traditional Chinese Pharmacy	2D 3D TSV
31029550	42	Identification of potent farnesoid X receptor (FXR) antagonist showing favorable PK profile and distribution toward target tissues: Comprehensive understanding of structure-activity relationship of FXR antagonists.	Bioorg Med Chem 27: 2220-2227 (2019)	Hiroshima International University	2D 3D TSV
31027708	2	Discovery of 4,6-bis(benzyloxy)-3-phenylbenzofuran as a novel Pin1 inhibitor to suppress hepatocellular carcinoma via upregulating microRNA biogenesis.	Bioorg Med Chem 27: 2235-2244 (2019)	Sichuan University	2D 3D TSV
31026746	21	A combinatorial approach for the discovery of drug-like inhibitors of 15-lipoxygenase-1.	Eur J Med Chem 174: 45-55 (2019)	University of Groningen	2D 3D TSV
31026162	25	Modification and Biological Evaluation of a Series of 1,5-Diaryl-1,2,4-triazole Compounds as Novel Agents against Pancreatic Cancer Metastasis through Targeting Myoferlin.	J Med Chem 62: 4949-4966 (2019)	East China Normal University	2D 3D TSV
31023512	76	Lead generation of 1,2-dithiolanes as exon 19 and exon 21 mutant EGFR tyrosine kinase inhibitors.	Bioorg Med Chem Lett 29: 1435-1439 (2019)	Sabila Biosciences LLC	2D 3D TSV
31022584	8	Discovery of novel acylhydrazone neuraminidase inhibitors.	Eur J Med Chem 173: 305-313 (2019)	Shanghai Institute of Technology	2D 3D TSV
31022340	101	Discovery of Potent, Selective, and Short-Acting Peptidic V	J Med Chem 62: 4991-5005 (2019)	Ferring Research Institute Inc.	2D 3D TSV
31021628	50	Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.	J Med Chem 62: 4979-4990 (2019)	Chinese Academy of Sciences	2D 3D TSV
31021626	51	Structure-Based Design of Selective ?-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.	J Med Chem 62: 5080-5095 (2019)	TBA	2D 3D TSV
31021617	136	Leveraging a Low-Affinity Diazaspiro Orthosteric Fragment to Reduce Dopamine D	J Med Chem 62: 5132-5147 (2019)	University of Pennsylvania	2D 3D TSV
31017416	15	Pharmacological Chaperones for the Treatment of ?-Mannosidosis.	J Med Chem 62: 5832-5843 (2019)	University of Sevilla	2D 3D TSV
31015103	2	1,2,4-Triazole-quinoline/quinolone hybrids as potential anti-bacterial agents.	Eur J Med Chem 174: 1-8 (2019)	Henan University of Chinese Medicine	2D 3D TSV
31014912	34	Synthesis and biological evaluation of new HIV-1 protease inhibitors with purine bases as P2-ligands.	Bioorg Med Chem Lett 29: 1541-1545 (2019)	Chinese Academy of Medical Science and Peking Union Medical College	2D 3D TSV
31014911	30	Investigation of biaryl heterocycles as inhibitors of Wee1 kinase.	Bioorg Med Chem Lett 29: 1481-1486 (2019)	Global Pharmaceutical Research and Development	2D 3D TSV
31014565	84	Design, synthesis and biological evaluation of 4-aniline-thieno[2,3-d]pyrimidine derivatives as MNK1 inhibitors against renal cell carcinoma and nasopharyngeal carcinoma.	Bioorg Med Chem 27: 2268-2279 (2019)	Chengdu Medical College	2D 3D TSV
31013427	209	Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.	J Med Chem 62: 5096-5110 (2019)	GlaxoSmithKline	2D 3D TSV
31013090	39	Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.	J Med Chem 62: 4884-4901 (2019)	Tetra Discovery Partners, Inc.	2D 3D TSV
31013087	4	Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.	J Nat Prod 82: 1114-1119 (2019)	Shandong University at Weihai	2D 3D TSV
31012583	128	Challenges and Opportunities for Therapeutics Targeting the Voltage-Gated Sodium Channel Isoform Na	J Med Chem 62: 8695-8710 (2019)	SiteOne Therapeutics	2D 3D TSV
31010722	69	3-Substituted Quinolines as ROR?t Inverse Agonists.	Bioorg Med Chem Lett 29: 1463-1470 (2019)	Janssen Research and Development	2D 3D TSV
31009914	22	Synthesis of novel andrographolide beckmann rearrangement derivatives and evaluation of their HK2-related anti-inflammatory activities.	Eur J Med Chem 173: 282-293 (2019)	Shenyang Pharmaceutical University	2D 3D TSV
31009912	5	Multitarget PPAR? agonists as innovative modulators of the metabolic syndrome.	Eur J Med Chem 173: 261-273 (2019)	University of Chieti "G. d.Annunzio"	2D 3D TSV
31009908	28	Research progress in the biological activities of 3,4,5-trimethoxycinnamic acid (TMCA) derivatives.	Eur J Med Chem 173: 213-227 (2019)	Northwest University	2D 3D TSV
31009559	50	Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.	J Med Chem 62: 4915-4935 (2019)	Takeda Pharmaceutical Company Limited	2D 3D TSV
31006525	34	Synthesis and evaluation of the HIF-1? inhibitory activities of novel ursolic acid tetrazole derivatives.	Bioorg Med Chem Lett 29: 1440-1445 (2019)	Yanbian University College of Pharmacy	2D 3D TSV
31005445	27	Identification and SAR exploration of a novel series of Legumain inhibitors.	Bioorg Med Chem Lett 29: 1546-1548 (2019)	Queen's University Belfast	2D 3D TSV
31005444	8	Synthesis and in vitro biological evaluation of new P2X7R radioligands [	Bioorg Med Chem Lett 29: 1476-1480 (2019)	Indiana University School of Medicine	2D 3D TSV
31005443	12	Design, synthesis of orally bioavailable novel anaplastic lymphoma kinase (ALK) inhibitor diphenylaminopyrimidine analogs and efficacy study on NCI-H2228 xenografts mice model.	Bioorg Med Chem Lett 29: 1514-1517 (2019)	Arromax Pharmatech Co. Ltd.	2D 3D TSV
31005442	64	Structure guided drug design to develop kallikrein 5 inhibitors to treat Netherton syndrome.	Bioorg Med Chem Lett 29: 1454-1458 (2019)	GlaxoSmithKline R&D	2D 3D TSV
31005056	36	Discovery of coumarin Mannich base derivatives as multifunctional agents against monoamine oxidase B and neuroinflammation for the treatment of Parkinson's disease.	Eur J Med Chem 173: 203-212 (2019)	Institute of Materia Medica	2D 3D TSV
31003060	27	Design, synthesis and biological evaluation of novel thioquinazolinone-based 2-aminobenzamide derivatives as potent histone deacetylase (HDAC) inhibitors.	Eur J Med Chem 173: 185-202 (2019)	Beijing University of Chemical Technology	2D 3D TSV
31002508	30	Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.	J Med Chem 62: 4483-4499 (2019)	Texas A&M University	2D 3D TSV
31000406	17	Veratric acid derivatives containing benzylidene-hydrazine moieties as promising tyrosinase inhibitors and free radical scavengers.	Bioorg Med Chem 27: 2644-2651 (2019)	Shiraz University of Medical Sciences	2D 3D TSV

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