Compile Data Set for Download or QSAR
Found 20 Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50046282
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101815(CHEBI:7550 | Nicardipine)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM78934(2-methoxyacetic acid [(1S,2S)-2-[2-[3-(1H-benzimid...)copy SMILEScopy InChI
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
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101971(BAY-E-9736 | CHEBI:7575 | Nimodipine | Nimotop)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM79021((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50130273(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50001888((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 2.33E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM78577(BEPRIDIL HYDROCHLORIDE | Bepridil | MLS000028456 |...)copy SMILEScopy InChI
Affinity DataIC50: 2.36E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50158460((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)copy SMILEScopy InChI
Affinity DataIC50: 2.92E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)copy SMILEScopy InChI
Affinity DataIC50: 3.27E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM21398(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)copy SMILEScopy InChI
Affinity DataIC50: 3.31E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50001884(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 4.63E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM41132(MLS000028542 | SMR000058333 | TRIAMCINOLONE | cid_...)copy SMILEScopy InChI
Affinity DataIC50: 4.91E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50103601(CHEBI:29007 | Ceftriaxone)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50043280(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50041457(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50045000((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMedDrugBank
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50017702(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed