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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 = 'BDBM50272250'   
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))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair