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SMILES: COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(C)c1

InChI Key: InChIKey=UFTRYWQICMMERY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50502732   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50502732
PNG
(CHEMBL4557371)
Show SMILES COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(C)c1 |c:9|
Show InChI InChI=1S/C19H19FN4O2/c1-18(2)11-19(26-4,6-12(7-21)17(18)25)16-15(5-14(20)9-22-16)13-8-23-24(3)10-13/h5-6,8-10H,11H2,1-4H3
PDB
MMDB

KEGG

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 2n/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
More data for this
Ligand-Target Pair