Compile Data Set for Download or QSAR
Report error Found 7 Enz. Inhib. hit(s) for PDB: 6OO9
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50117922(CHEMBL45816 | Methoxy-acetic acid 2-(2-{[3-(1H-ben...)
Affinity DataIC50: 130nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50117922(CHEMBL45816 | Methoxy-acetic acid 2-(2-{[3-(1H-ben...)
Affinity DataKi:  280nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin) expressed in baculosomes in presence of 1 mM NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50117922(CHEMBL45816 | Methoxy-acetic acid 2-(2-{[3-(1H-ben...)
Affinity DataIC50: 300nMAssay Description:Reversible inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM78934(MLS001056800 | Mibefradil dihydrochloride hydrate ...)
Affinity DataIC50: 470nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM78934(MLS001056800 | Mibefradil dihydrochloride hydrate ...)
Affinity DataIC50: 720nMAssay Description:The CYP2D6 inhibition assays were conducted using Human Liver Microsomes purchased from Invitrogen and designed to screen potential inhibitors of Cyt...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50117922(CHEMBL45816 | Methoxy-acetic acid 2-(2-{[3-(1H-ben...)
Affinity DataKi:  2.30E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50117922(CHEMBL45816 | Methoxy-acetic acid 2-(2-{[3-(1H-ben...)
Affinity DataIC50: 1.40E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation incubated for 60 mins in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)