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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50502725'   
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
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))
BDBM50502725
PNG
(CHEMBL4565642 | US11479539, Compound 168)
Show SMILES COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnc(C)s1 |c:9|
Show InChI InChI=1S/C19H18FN3O2S/c1-11-22-9-15(26-11)14-5-13(20)8-23-16(14)19(25-4)6-12(7-21)17(24)18(2,3)10-19/h5-6,8-9H,10H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of KEAP1 interaction with Nrf2 in human HEK293 cells transfected with ARE-LUC assessed as activation of Nrf2 signaling pathway measured af...


ACS Med Chem Lett 10: 1245-1246 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00328
BindingDB Entry DOI: 10.7270/Q2QZ2F72
More data for this
Ligand-Target Pair