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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 = 50294710   
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))
BDBM50294710
PNG
(2-chloro-4-(isobutyl(3-methyl-1-(1-methyl-1H-tetra...)
Show SMILES CC(C)CC(N(CC(C)C)c1ccc(C#N)c(Cl)c1)c1nnnn1C
Show InChI InChI=1S/C18H25ClN6/c1-12(2)8-17(18-21-22-23-24(18)5)25(11-13(3)4)15-7-6-14(10-20)16(19)9-15/h6-7,9,12-13,17H,8,11H2,1-5H3
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Similars

Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 2637-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM
More data for this
Ligand-Target Pair