Compile Data Set for Download or QSAR
maximum 50k data
Found 12 Enz. Inhib. hit(s) with all data for entry = 89
TargetCytochrome P450 3A4(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  20nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  20nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM190405(US9180183, Quinidine)
Affinity DataIC50:  40nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM50090677(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Affinity DataIC50:  210nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetCytochrome P450 1A2(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM50236897(3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...)
Affinity DataIC50:  2.20E+3nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM50267074(CHEMBL446898 | N-3-benzyl-phenobarbital | Phenobar...)
Affinity DataIC50:  8.70E+3nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50:  2.60E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent