Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear factor erythroid 2-related factor 2' and Ligand = 'BDBM50508511'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50508511 (CHEMBL4516926) Show SMILES CN1CCC(CC1)SC(=S)NCCCCNC(=O)OCc1ccccc1 Show InChI InChI=1S/C19H29N3O2S2/c1-22-13-9-17(10-14-22)26-19(25)21-12-6-5-11-20-18(23)24-15-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,20,23)(H,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 BindingDB Entry DOI: 10.7270/Q2GF0XSX
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