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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 = 50311759   
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))
BDBM50311759
PNG
(1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...)
Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O
Show InChI InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)
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Similars

Article
PubMed
n/an/a 6.40E+3n/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