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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 = 50293901   
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))
BDBM50293901
PNG
(CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1
Show InChI InChI=1S/C29H33N5O2/c1-19-12-14-30-25(17-31-29(35)21-8-5-4-6-9-21)24(19)18-36-27-11-7-10-22-23(16-20(2)33-28(22)27)26-13-15-32-34(26)3/h7,10-16,21H,4-6,8-9,17-18H2,1-3H3,(H,31,35)
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Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Jerini AG

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 by microtiter plate assay


J Med Chem 52: 4370-9 (2009)


Article DOI: 10.1021/jm9002445
BindingDB Entry DOI: 10.7270/Q2KS6RKT
More data for this
Ligand-Target Pair