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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 = 50311750   
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))
BDBM50311750
PNG
(CHEMBL1076210 | N-(2,6-dimethylbenzyl)-2,3-dimethy...)
Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nccc2c1C
Show InChI InChI=1S/C18H21N3/c1-11-6-5-7-12(2)16(11)10-20-18-17-15(8-9-19-18)13(3)14(4)21-17/h5-9,21H,10H2,1-4H3,(H,19,20)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 1.80E+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