BDBM50508438 CHEMBL4559787

SMILES: C[S+]([O-])CCCCNC(=S)SCCCO

InChI Key: InChIKey=PMTBMLYXOVRRLZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508438   

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))	BDBM50508438 (CHEMBL4559787) Show SMILES C[S+]([O-])CCCCNC(=S)SCCCO Show InChI InChI=1S/C9H19NO2S3/c1-15(12)8-3-2-5-10-9(13)14-7-4-6-11/h11H,2-8H2,1H3,(H,10,13)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	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