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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 = 50226483   
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))
BDBM50226483
PNG
((5R)-3-[3-fluoro-4-(1-oxidotetrahydro-2H-thiopyran...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O4S/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-23(21)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t9?,13-,23?/m1/s1
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Similars

Article
PubMed
n/an/a>9.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human liver microsome CYP2C19


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair