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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 = 50172467   
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))
BDBM50172467
PNG
(1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...)
Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(H,26,27)
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PC sid
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Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair