BDBM50180845 CHEMBL3819349

SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O

InChI Key InChIKey=AWBSGIHJNCVFLA-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50180845   

TargetCytochrome P450 2C19(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180845(CHEMBL3819349)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180845(CHEMBL3819349)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180845(CHEMBL3819349)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180845(CHEMBL3819349)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180845(CHEMBL3819349)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180845(CHEMBL3819349)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed