BDBM50237224 CHEMBL4083672

SMILES NCC(NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1ncc(CO)s1

InChI Key InChIKey=TYXKVUMFJJEHMH-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50237224   

TargetCytochrome P450 2C19(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237224(CHEMBL4083672)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 60 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237224(CHEMBL4083672)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237224(CHEMBL4083672)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 60 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Lindsey F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50237224(CHEMBL4083672)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2019
Entry Details Article
PubMed