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 = 'BDBM50456760'   

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))	BDBM50456760 (CHEMBL4205263) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC |r,c:22,t:15| Show InChI InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay				J Nat Prod 80: 2276-2283 (2017) Article DOI: 10.1021/acs.jnatprod.7b00271 BindingDB Entry DOI: 10.7270/Q2VX0K32
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