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 = 'BDBM50539564'   

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))	BDBM50539564 (CHEMBL4648662) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2[C@H](C)CN(Cc2c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-13-12-24(19(3)28(26)30-31-33)25(15-27(34)35)21-10-11-23-18(2)16-32(17-22(23)14-21)29(36)20-8-6-5-7-9-20/h5-14,18,25H,4,15-17H2,1-3H3,(H,34,35)/t18-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Induction of Nrf2 nuclear translocation in human U2OS cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
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