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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 = 50326142   
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))
BDBM50326142
PNG
(3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...)
Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3
PDB
MMDB

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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 preincubated for 10 mins


J Med Chem 53: 5827-43 (2010)


Article DOI: 10.1021/jm100482n
BindingDB Entry DOI: 10.7270/Q2D50N6M
More data for this
Ligand-Target Pair