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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 = 50254700   
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))
BDBM50254700
PNG
(4-tert-butyl-6-(2,4-dichlorophenylamino)-N-((tetra...)
Show SMILES CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
Show InChI InChI=1S/C22H27Cl2N3O2/c1-22(2,3)17-11-20(27-19-5-4-15(23)10-18(19)24)25-13-16(17)21(28)26-12-14-6-8-29-9-7-14/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,27)(H,26,28)
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Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



GlaxoSmithKline PLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 19: 259-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.118
BindingDB Entry DOI: 10.7270/Q2R78F25
More data for this
Ligand-Target Pair