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Compile Data Set for Download or QSAR

Found 1 hit of Enz. Inhib. data with enzyme = 'Cytochrome P450 2C19' and Substrate = 'US9333197, S-mephenytoin'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM224814
PNG
(US9333197, 4-Hydroxymephenytoin)
Show SMILES CCC1(NC(=O)N(C)C1=O)c1ccc(O)cc1
Show InChI InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.50E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.25%) are incubated with human liver microsome...


US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair