napabucasin [Ligand Id: 11358] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL64130 (2-Acetylfuranonaphthoquinone, 2-acetylfuro-1,4-naphthoquinone, BBI-608, BBI608, Napabucasin)
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  • signal transducer and activator of transcription 3/Signal transducer and activator of transcription 3 in Human [ChEMBL: CHEMBL4026] [GtoPdb: 2994] [UniProtKB: P40763]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Aldehyde dehydrogenase 1A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3577] [UniProtKB: P00352]
ChEMBL Inhibition of ALDH1A1 in human drug-tolerant MDA-MB-231/lapatinib cells assessed as after 24 hrs B 6.37 pIC50 425.32 nM IC50 J Med Chem (2021) 64: 12877-12892 [PMID:34435487]
signal transducer and activator of transcription 3/Signal transducer and activator of transcription 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4026] [GtoPdb: 2994] [UniProtKB: P40763]
ChEMBL Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK293 cells expressing SIE-luc2P preincubated for overnight followed by IL-6 stimulation and measured after 24 hr by Bio-Glo luciferase reagent based microplate reader assay B 5.49 pIC50 3200 nM IC50 J Med Chem (2021) 64: 1626-1648 [PMID:33506674]
ChEMBL Inhibition of IL-6 induced STAT3 phosphorylation at Tyr705 residue in human MCF7 cells preincubated for 1 hr followed by IL-6 stimulation and measured after 1 hr by Western blot analysis B 6 pIC50 <1000 nM IC50 Bioorg Med Chem (2020) 28: 115347-115347 [PMID:32044231]
ChEMBL Inhibition of STAT3 phosphorylation at Y705 in human MDA-MB-231 cells after 4 hrs by HTRF assay B 5.7 pEC50 2000 nM EC50 J Nat Prod (2018) 81: 1636-1644 [PMID:30003778]
ChEMBL Inhibition of STAT3 phosphorylation at Y705 in human MDA-MB-231 cells assessed as reduction in ratio of phosphorylated STAT3 to total STAT3 level after 4 hrs by HTRF assay B 5.72 pEC50 1900 nM EC50 J Nat Prod (2018) 81: 1636-1644 [PMID:30003778]

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]