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BDBM50437044 CHEMBL2403314

SMILES: Fc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccnc4C(F)(F)F)ccc23)c(F)c1

InChI Key: InChIKey=VXSMDSMZXIPRTF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437044   
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))
BDBM50437044
PNG
(CHEMBL2403314)
Show SMILES Fc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccnc4C(F)(F)F)ccc23)c(F)c1
Show InChI InChI=1S/C21H11F6N3O2/c22-11-6-15(23)14(16(24)7-11)9-30-10-29-20(31)13-8-12(3-4-17(13)30)32-18-2-1-5-28-19(18)21(25,26)27/h1-8,10H,9H2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 23: 4132-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.037
BindingDB Entry DOI: 10.7270/Q21V5GC5
More data for this
Ligand-Target Pair