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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 = 50311412   
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))
BDBM50311412
PNG
(CHEMBL1080046 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
Show InChI InChI=1S/C24H30N4O2S/c1-2-3-4-19-5-9-24(10-6-19)31(29,30)27-22-8-7-20-12-15-28(16-13-21(20)17-22)18-23-11-14-25-26-23/h5-11,14,17,27H,2-4,12-13,15-16,18H2,1H3,(H,25,26)
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Similars

Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19


Bioorg Med Chem Lett 19: 6452-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.027
BindingDB Entry DOI: 10.7270/Q2DV1K0C
More data for this
Ligand-Target Pair