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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Ligand = 'BDBM50169438'   
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))
BDBM50169438
PNG
(CHEMBL3804898 | US9481677, 63)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C23H14ClF2N5O4S/c24-13-3-5-18(14(9-13)12-2-4-19-15(8-12)22(27)30-35-19)34-20-10-17(26)21(11-16(20)25)36(32,33)31-23-28-6-1-7-29-23/h1-11H,(H2,27,30)(H,28,29,31)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 30 mins by LC/MS/MS analysis


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair