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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 = 50220012   
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))
BDBM50220012
PNG
((5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3...)
Show SMILES Fc1cc(ccc1-c1cccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C17H14FN5O2/c18-16-8-13(3-4-15(16)12-2-1-5-19-9-12)23-11-14(25-17(23)24)10-22-7-6-20-21-22/h1-9,14H,10-11H2/t14-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19


J Med Chem 50: 4868-81 (2007)


Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0
More data for this
Ligand-Target Pair