Compile Data Set for Download or QSAR
Found 20 Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50004704'
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataKi:  100nMAssay Description:Inhibition of CYP3A4-mediated N-demethylation in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1SVRPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataKi:  2.20E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by midazolam hydroxylase activityMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 8.10E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 9.60E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 3.60E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 6.20E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 1.46E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 2.17E+5nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NC6174PubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+5nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMedDrugBank