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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 = 50158468   
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))
BDBM50158468
PNG
(CHEMBL390613 | cyclohexyl(2-methylbenzofuran-3-yl)...)
Show SMILES Cc1oc2ccccc2c1C(=O)C1CCCCC1
Show InChI InChI=1S/C16H18O2/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 47: 6768-76 (2004)


Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153
More data for this
Ligand-Target Pair