BDBM50508478 CHEMBL4572303

SMILES: CN1CCC(CC1)SC(=S)NCCCCNC(=O)Nc1ccc2ncsc2c1

InChI Key: InChIKey=OCHIQJDHWMQZQE-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508478   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50508478 (CHEMBL4572303) Show SMILES CN1CCC(CC1)SC(=S)NCCCCNC(=O)Nc1ccc2ncsc2c1 Show InChI InChI=1S/C19H27N5OS3/c1-24-10-6-15(7-11-24)28-19(26)21-9-3-2-8-20-18(25)23-14-4-5-16-17(12-14)27-13-22-16/h4-5,12-13,15H,2-3,6-11H2,1H3,(H,21,26)(H2,20,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to FLAG/His-tagged Keap1 (unknown origin)/biotinylated full-length FLAG/His/Tev/Avi-tagged NRF2 (unknown origin) expressed in baculo...				Bioorg Med Chem 27: 579-588 (2019) Article DOI: 10.1016/j.bmc.2018.12.026
					More data for this Ligand-Target Pair