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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 = 'BDBM50508448'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50508448
PNG
(CHEMBL4570062)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)SC(=S)NCCCCNC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C24H36N4O5S2/c1-24(2,3)33-23(30)28-12-8-18(9-13-28)35-22(34)26-11-5-4-10-25-21(29)27-17-6-7-19-20(16-17)32-15-14-31-19/h6-7,16,18H,4-5,8-15H2,1-3H3,(H,26,34)(H2,25,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair