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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Monomerid = 50275501   
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 2C19


(Homo sapiens (human))
BDBM50275501
PNG
(4-cyano-N-(5-((cyclohexyl(methyl)amino)methyl)-1-(...)
Show SMILES COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CN(C)C3CCCCC3)ccc12
Show InChI InChI=1S/C27H33N5O2/c1-31(23-7-4-3-5-8-23)19-21-11-14-25-24(17-21)29-27(32(25)15-6-16-34-2)30-26(33)22-12-9-20(18-28)10-13-22/h9-14,17,23H,3-8,15-16,19H2,1-2H3,(H,29,30,33)
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Similars

Article
PubMed
n/an/a>1.40E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 18: 5541-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.016
BindingDB Entry DOI: 10.7270/Q2ZC82PX
More data for this
Ligand-Target Pair