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 = 'BDBM50205336'   

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))	BDBM50205336 (CHEMBL3925906) Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12 Show InChI InChI=1S/C28H28N2O8S3/c1-3-37-19-9-13-21(14-10-19)40(33,34)29-25-17-26(39-18-27(31)32)28(24-8-6-5-7-23(24)25)30-41(35,36)22-15-11-20(12-16-22)38-4-2/h5-17,29-30H,3-4,18H2,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unkno...				Bioorg Med Chem Lett 26: 5956-5959 (2016) Article DOI: 10.1016/j.bmcl.2016.10.083 BindingDB Entry DOI: 10.7270/Q2PC34CB
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