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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 = 50311762   
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))
BDBM50311762
PNG
(1-(7-(2,6-dimethylbenzylamino)-1-(2-hydroxyethyl)-...)
Show SMILES Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CCO)-n1ccccc1=O
Show InChI InChI=1S/C25H28N4O2/c1-16-8-7-9-17(2)21(16)15-26-25-24-20(18(3)19(4)28(24)12-13-30)14-22(27-25)29-11-6-5-10-23(29)31/h5-11,14,30H,12-13,15H2,1-4H3,(H,26,27)
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Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 6813-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.002
BindingDB Entry DOI: 10.7270/Q2MC9046
More data for this
Ligand-Target Pair