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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 = 50301846   
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))
BDBM50301846
PNG
(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-mo...)
Show SMILES CC1(CC(=O)NCc2ccc(cc2)N2CCOCC2)CC2(CCCCC2)OO1
Show InChI InChI=1S/C22H32N2O4/c1-21(17-22(28-27-21)9-3-2-4-10-22)15-20(25)23-16-18-5-7-19(8-6-18)24-11-13-26-14-12-24/h5-8H,2-4,9-17H2,1H3,(H,23,25)
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MMDB

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Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Institute Infectious Diseases Initiative

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


Bioorg Med Chem Lett 19: 5657-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.024
BindingDB Entry DOI: 10.7270/Q22R3RRX
More data for this
Ligand-Target Pair