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BDBM50504679 CHEMBL4569049

SMILES: Cl.COc1ccccc1\C=C\C(=O)c1cccc(OCCCN2CCOCC2)c1

InChI Key: InChIKey=KONPCHCZUTYFPV-ZHACJKMWSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50504679   
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
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50504679
PNG
(CHEMBL4569049)
Show SMILES Cl.COc1ccccc1\C=C\C(=O)c1cccc(OCCCN2CCOCC2)c1
Show InChI InChI=1S/C23H27NO4/c1-26-23-9-3-2-6-19(23)10-11-22(25)20-7-4-8-21(18-20)28-15-5-12-24-13-16-27-17-14-24/h2-4,6-11,18H,5,12-17H2,1H3/b11-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.72E+3n/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Activation of NRF2 in human U2OS cells co-expressing Keap1 (unknown origin) assessed as induction of NRF2 translocation to nucleus incubated for 6 hr...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111777
More data for this
Ligand-Target Pair