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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' and Monomerid = 50108044   
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
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108044
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2-fluoro-4-me...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(F)c1
Show InChI InChI=1S/C17H17FO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,1-3H3/b5-4+
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair