ChEMBL ligand: CHEMBL64130 (2-acetylfuranonaphthoquinone, 2-acetylfuro-1,4-naphthoquinone, BBI-608, BBI608, Napabucasin, Napabucasina, Napabucasine)
Aldehyde dehydrogenase 1A1 in Human [ChEMBL: CHEMBL3577] [UniProtKB: P00352] There should be some charts here, you may need to enable JavaScript!
signal transducer and activator of transcription 3/Signal transducer and activator of transcription 3 in Human [ChEMBL: CHEMBL4026] [GtoPdb: 2994] [UniProtKB: P40763] There should be some charts here, you may need to enable JavaScript!

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	Binding affinity to recombinant His-tagged STAT3 (127 to 722 residues) (unknown origin) expressed in Escherichia coli BL-21 Star (De3) pLysS by bio-layer interferometry assay	B	4.89	pKd	13000	nM	Kd	Eur J Med Chem (2024) 272: 116448-116448 [PMID:38704936]
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 activation in HEK293-STAT3-Luc2P cell line assessed as decrease in phosphorylated STAT3 (p-STAT3 Tyr705) level measured after 24 hrs by STAT3 luciferase reporter gene/Bright-Lite luciferase assay	B	5.8	pIC50	1586	nM	IC50	J Med Chem (2024) 67: 15291-15310 [PMID:39226127]
ChEMBL	Inhibition of leukemia inhibitory factor-induced STAT3 transcriptional activity in human HeLa cells expressing 4SIE pretreated for 1 hr followed by LIF stimulation and measured after 4 hrs by firefly luciferase assay	B	5.92	pIC50	1209	nM	IC50	Eur J Med Chem (2024) 272: 116448-116448 [PMID:38704936]
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 36:

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]