BDBM50180841 CHEMBL3819606

SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1

InChI Key InChIKey=VSXVLXGKPWRIGL-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 = 50180841   

TargetCytochrome P450 2C19(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180841(CHEMBL3819606)
Affinity DataIC50: 2.40E+3nMAssay 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 2D6(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180841(CHEMBL3819606)
Affinity DataIC50: 1.65E+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
TargetCytochrome P450 2C9(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180841(CHEMBL3819606)
Affinity DataIC50: 1.84E+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 1A2(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180841(CHEMBL3819606)
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 3A4(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180841(CHEMBL3819606)
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 3A4(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50180841(CHEMBL3819606)
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