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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 = 'BDBM50109401'   
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))
BDBM50109401
PNG
(CHEMBL3601206)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c(C)c1
Show InChI InChI=1S/C25H26N2O10S2/c1-17-14-18(26(15-24(28)29)38(32,33)21-9-5-19(36-2)6-10-21)4-13-23(17)27(16-25(30)31)39(34,35)22-11-7-20(37-3)8-12-22/h4-14H,15-16H2,1-3H3,(H,28,29)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.67E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair