Compile Data Set for Download or QSAR
Found 33 Enz. Inhib. hit(s) with all data for entry = 11334
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583050(CHEMBL5094781 | US11739089, Compound 8)copy SMILES
Affinity DataIC50: 175nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)copy SMILEScopy InChI
Affinity DataIC50: 175nMMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM613968(US11739089, Compound 2)copy SMILES
Affinity DataIC50: 175nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583051(CHEMBL5080434 | US11739089, Compound 10)copy SMILES
Affinity DataIC50: 375nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM613977(US11739089, Compound 11)copy SMILES
Affinity DataIC50: 375nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM613969(US11739089, Compound 3)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583065(CHEMBL5072078 | US11739089, Compound 28)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583060(CHEMBL5079066 | US11739089, Compound 23)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM613975(US11739089, Compound 9)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM613970(US11739089, Compound 4)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583053(CHEMBL5077462 | US11739089, Compound 7)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583068(CHEMBL5081940 | US11739089, Compound 17)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583068(CHEMBL5081940 | US11739089, Compound 17)copy SMILES
Affinity DataIC50: 750nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50075373(1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50567579(Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583052(CHEMBL5084749 | US11739089, Compound 1)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM613971(US11739089, Compound 5)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583054(CHEMBL5075114 | US11739089, Compound 6)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583070(CHEMBL5074763 | US11739089, Compound 30)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583066(CHEMBL5090486 | US11739089, Compound 29)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583064(CHEMBL5076722 | US11739089, Compound 27)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583063(CHEMBL5075886 | US11739089, Compound 26)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583061(CHEMBL5081545 | US11739089, Compound 24)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583059(CHEMBL5073106 | US11739089, Compound 22)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583058(CHEMBL5094677 | US11739089, Compound 21)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583057(CHEMBL5077301 | US11739089, Compound 20)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583056(CHEMBL5074836 | US11739089, Compound 19)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583069(CHEMBL5076816 | US11739089, Compound 18)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583067(CHEMBL5083331 | US11739089, Compound 16)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM613980(US11739089, Compound 15)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583067(CHEMBL5083331 | US11739089, Compound 16)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583062(CHEMBL5074563 | US11739089, Compound 25)copy SMILES
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ