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 = 'BDBM50369474'   

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))	BDBM50369474 (CHEMBL4159226) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2[nH]ccc12 Show InChI InChI=1S/C22H21N3O6S2/c1-30-15-3-7-17(8-4-15)32(26,27)24-20-11-12-21(22-19(20)13-14-23-22)25-33(28,29)18-9-5-16(31-2)6-10-18/h3-14,23-25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...				J Med Chem 61: 8029-8047 (2018) Article DOI: 10.1021/acs.jmedchem.8b01133 BindingDB Entry DOI: 10.7270/Q2G163CR
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