Compile Data Set for Download or QSAR
Report error Found 12 Enz. Inhib. hit(s) with all data for entry = 50001253
TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 13nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 22nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 25nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C19(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50273689(CHEMBL4128999)
Affinity DataIC50: 480nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50090677(CHEMBL1109 | 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-...)
Affinity DataIC50: 720nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide methylhydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50273688(CHEMBL4127539)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50273688(CHEMBL4127539)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide methylhydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50273688(CHEMBL4127539)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50273688(CHEMBL4127539)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50273688(CHEMBL4127539)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Liverpool

Curated by ChEMBL
LigandPNGBDBM50273688(CHEMBL4127539)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed