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, Napabucasina, Napabucasine)
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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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]