Compile Data Set for Download or QSAR
maximum 50k data
Found 28 Enz. Inhib. hit(s) with all data for entry = 50040643
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Affinity DataKi:  100nMAssay Description:Inhibition of CYP3A4-mediated N-demethylation in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM520(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Affinity DataKi:  170nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  370nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397662(CLOPIDOGREL)
Affinity DataKi:  500nMAssay Description:Time dependent inhibition of CYP2B6 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM519((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Affinity DataKi:  650nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50069447(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Affinity DataKi:  1.00E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  1.00E+3nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50366785(NELFINAVIR)
Affinity DataKi:  1.00E+3nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Affinity DataKi:  1.70E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes assessed as quasi-irreversible complex formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50117922((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Affinity DataKi:  2.30E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi:  3.30E+3nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKi:  6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50318884(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Affinity DataKi:  1.20E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397662(CLOPIDOGREL)
Affinity DataKi:  1.43E+4nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataKi:  1.43E+4nMAssay Description:Inhibition of CYP3A4-mediated midazolam 1'-hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397664(CHEMBL2181816)
Affinity DataKi:  1.80E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397663(CHEMBL2181817)
Affinity DataKi:  2.00E+4nMAssay Description:Time dependent inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50168724(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Affinity DataKi:  2.30E+4nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50069447(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Affinity DataIC50:  15nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50117922((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Affinity DataIC50:  300nMAssay Description:Reversible inhibition of CYP3A4More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50069447(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Affinity DataIC50:  1.50E+3nMAssay Description:Competitive inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397663(CHEMBL2181817)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50110590(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibition of CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50110590(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Affinity DataIC50:  9.60E+3nMAssay Description:Reversible inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397663(CHEMBL2181817)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50110590(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Affinity DataIC50:  9.50E+4nMAssay Description:Reversible inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank