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 = 'BDBM50508446'   

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))	BDBM50508446 (CHEMBL4472577) Show SMILES CN1CCC(CC1)SC(=S)NCCCCNC(=O)OCc1ccccn1 Show InChI InChI=1S/C18H28N4O2S2/c1-22-12-7-16(8-13-22)26-18(25)21-11-5-4-10-20-17(23)24-14-15-6-2-3-9-19-15/h2-3,6,9,16H,4-5,7-8,10-14H2,1H3,(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	3.98E+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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