Compile Data Set for Download or QSAR
Report error Found 177 Enz. Inhib. hit(s) with all data for entry = 50046282
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50130273(4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperaz...)
Affinity DataIC50: 120nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101815(CHEBI:7550 | Nicardipine)
Affinity DataIC50: 380nMAssay 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
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50043280(4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimi...)
Affinity DataIC50: 420nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

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 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50043280(4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimi...)
Affinity DataIC50: 540nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in presence of 1 mM NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50043280(4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimi...)
Affinity DataIC50: 540nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation reduction in astemizole O-demethylation after 30 mins by L...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101815(CHEBI:7550 | Nicardipine)
Affinity DataIC50: 560nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 640nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101815(CHEBI:7550 | Nicardipine)
Affinity DataIC50: 660nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50017702(cid_6365505 | 1-(bis(4-fluorophenyl)methyl)-4-cinn...)
Affinity DataIC50: 760nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in presence of 1 mM NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM78934(MLS001056800 | Mibefradil dihydrochloride hydrate ...)
Affinity DataIC50: 840nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50017702(cid_6365505 | 1-(bis(4-fluorophenyl)methyl)-4-cinn...)
Affinity DataIC50: 940nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50017702(cid_6365505 | 1-(bis(4-fluorophenyl)methyl)-4-cinn...)
Affinity DataIC50: 950nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation reduction in astemizole O-demethylation after 30 mins by L...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM586429(Amodiaquin | USRE49340, Rank 6 | BDBM50041457)
Affinity DataIC50: 990nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM78934(MLS001056800 | Mibefradil dihydrochloride hydrate ...)
Affinity DataIC50: 1.32E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50001888([3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-...)
Affinity DataIC50: 1.49E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101815(CHEBI:7550 | Nicardipine)
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101971(CHEBI:7575 | BAY-E-9736 | Nimodipine | Nimotop)
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101815(CHEBI:7550 | Nicardipine)
Affinity DataIC50: 1.78E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101971(CHEBI:7575 | BAY-E-9736 | Nimodipine | Nimotop)
Affinity DataIC50: 1.78E+3nMAssay 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
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM78934(MLS001056800 | Mibefradil dihydrochloride hydrate ...)
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101971(CHEBI:7575 | BAY-E-9736 | Nimodipine | Nimotop)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(CHEBI:7565 | Adalat | Adalat Cc | Afeditab Cr | BA...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50045000(CHEMBL9 | (norfloxacin)1-Ethyl-6-fluoro-4-oxo-7-pi...)
Affinity DataIC50: 2.56E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM79021(Sertraline | SMR000466298 | cid_63009 | (1S,4S)-4-...)
Affinity DataIC50: 2.88E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(CHEBI:7565 | Adalat | Adalat Cc | Afeditab Cr | BA...)
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101971(CHEBI:7575 | BAY-E-9736 | Nimodipine | Nimotop)
Affinity DataIC50: 3.38E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Affinity DataIC50: 3.64E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(CHEBI:7565 | Adalat | Adalat Cc | Afeditab Cr | BA...)
Affinity DataIC50: 4.08E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50001888([3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-...)
Affinity DataIC50: 4.14E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50158460(cid_2333 | Benzbromarone | 3,5-dibromo-4-hydroxyph...)
Affinity DataIC50: 4.26E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM78577(cid_50088 | N-benzyl-N-[3-(2-methylpropoxy)-2-pyrr...)
Affinity DataIC50: 4.31E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50130273(4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperaz...)
Affinity DataIC50: 4.49E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Affinity DataIC50: 4.69E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50043280(4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimi...)
Affinity DataIC50: 4.78E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756(Betalok | Spesikor | {2-hydroxy-3-[4-(2-methoxyeth...)
Affinity DataIC50: 4.87E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(CHEBI:7565 | Adalat | Adalat Cc | Afeditab Cr | BA...)
Affinity DataIC50: 5.42E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(CHEBI:7565 | Adalat | Adalat Cc | Afeditab Cr | BA...)
Affinity DataIC50: 5.62E+3nMAssay 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
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101971(CHEBI:7575 | BAY-E-9736 | Nimodipine | Nimotop)
Affinity DataIC50: 7.20E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50017702(cid_6365505 | 1-(bis(4-fluorophenyl)methyl)-4-cinn...)
Affinity DataIC50: 7.89E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataIC50: 8.59E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM41132(SMR000058333 | cid_31307 | MLS000028542 | TRIAMCIN...)
Affinity DataIC50: 9.47E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50130273(4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperaz...)
Affinity DataIC50: 1.06E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM78577(cid_50088 | N-benzyl-N-[3-(2-methylpropoxy)-2-pyrr...)
Affinity DataIC50: 1.15E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM81939(NSC_62969 | VERAPAMIL | CAS_52-53-9)
Affinity DataIC50: 1.20E+4nMAssay 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
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101815(CHEBI:7550 | Nicardipine)
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM79021(Sertraline | SMR000466298 | cid_63009 | (1S,4S)-4-...)
Affinity DataIC50: 1.36E+4nMAssay 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
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50130273(4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperaz...)
Affinity DataIC50: 1.39E+4nMAssay 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
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50001884(8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
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