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Compile Data Set for Download or QSAR

Found 2 hits of Enz. Inhib. data with enzyme = 'Cytochrome P450 2C19' and Substrate = '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))
BDBM213822
PNG
(EPL-BS0967 (UDD))
Show SMILES FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...


J Biol Chem 288: 31602-15 (2013)


Article DOI: 10.1074/jbc.M113.497990
BindingDB Entry DOI: 10.7270/Q24F1PKM
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM213823
PNG
(EPL-BS1246 (UDO))
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C24H21ClF3N3O/c25-20-7-3-17(4-8-20)22(18-2-1-11-29-16-18)23(32)31-14-12-30(13-15-31)21-9-5-19(6-10-21)24(26,27)28/h1-11,16,22H,12-15H2/t22-/m0/s1
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MMDB

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UniProtKB/SwissProt

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DrugBank
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AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by...


J Biol Chem 288: 31602-15 (2013)


Article DOI: 10.1074/jbc.M113.497990
BindingDB Entry DOI: 10.7270/Q24F1PKM
More data for this
Ligand-Target Pair