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

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 15nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

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)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 1.50E+3nMAssay Description:Competitive inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50110590(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid...)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50110590(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid...)
Affinity DataIC50: 9.60E+3nMAssay Description:Reversible inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397663(CHEMBL2181817)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50110590(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid...)
Affinity DataIC50: 9.50E+4nMAssay Description:Reversible inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50004704(Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy...)
Affinity DataKi:  100nMAssay Description:Inhibition of CYP3A4-mediated N-demethylation in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM520(ABT-538 | Norvir | CHEMBL163 | 1,3-thiazol-5-ylmet...)
Affinity DataKi:  170nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM577(VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)
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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM519(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  1.00E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM5445(N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(...)
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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

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 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi:  3.30E+3nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM5446(Erlotinib | OSI-774 | N-(3-ethynylphenyl)-6,7-bis(...)
Affinity DataKi:  6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKi:  6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM19441(Evista | CHEMBL81 | Keoxifene | Raloxifene, 6 | RA...)
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM13530(cid_5291 | STI571 | N-(4-methyl-3-{[4-(pyridin-3-y...)
Affinity DataKi:  1.43E+4nMAssay Description:Inhibition of CYP3A4-mediated midazolam 1'-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C8(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed