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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50159278'   
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 1A2


(Homo sapiens (Human))
BDBM50159278
PNG
(2-Ethyl-naphthalene | 2-ethylnaphthalene | CHEMBL3...)
Show SMILES CCc1ccc2ccccc2c1
Show InChI InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cytochrome P450 1A2


J Med Chem 48: 3808-15 (2005)


Article DOI: 10.1021/jm0489713
BindingDB Entry DOI: 10.7270/Q2R2125K
More data for this
Ligand-Target Pair