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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 = 50254679   
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))
BDBM50254679
PNG
((+/-)-N-(2-((5-amino-1-(4-fluorophenyl)-1H-pyrazol...)
Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl
Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)17-16(23)4-3-9-29-17)12-21(36,22(25,26)27)11-30-19(34)15-10-31-33(18(15)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34)
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Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 19: 158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79
More data for this
Ligand-Target Pair