withaferin A [Ligand Id: 13097] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL517080
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  • CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Nuclear factor NF-kappa-B complex in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094258] [UniProtKB: P19838, Q00653, Q04206]
ChEMBL Inhibition of TNF-alpha stimulated NF-KappaB in human HEK293 cells transfected with NF-kappaB-Luc incubated for 5 hrs by luciferase reporter gene assay B 7.33 pIC50 47 nM IC50 J Nat Prod (2021) 84: 2321-2335 [PMID:34445874]
CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111]
GtoPdb - - 6.27 pIC50 540 nM IC50 J Nat Prod (2022) 85: 2340-2350 [PMID:36098617]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]