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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 = 50312267   
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))
BDBM50312267
PNG
((1S,5R)-3-(3-{[4-Methyl-5-(2-methyl-3-pyridinyl)-4...)
Show SMILES Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C24H26F3N5S/c1-16-20(5-3-10-28-16)21-29-30-22(31(21)2)33-12-4-11-32-14-19-13-23(19,15-32)17-6-8-18(9-7-17)24(25,26)27/h3,5-10,19H,4,11-15H2,1-2H3/t19-,23+/m0/s1
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 53: 374-91 (2010)


Article DOI: 10.1021/jm901319p
BindingDB Entry DOI: 10.7270/Q2WQ03X8
More data for this
Ligand-Target Pair