Compile Data Set for Download or QSAR

Found 15 hits of Enzyme Inhibition Constant Data   

TargetCytochrome P450 1A2(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060417(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)copy SMILEScopy InChI
Affinity DataIC50: 110nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060417(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 3A at 100 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM85097(CAS_181632-25-7 | CHEMBL14563 | SB 242084)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060417(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 3A at 1 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM85097(CAS_181632-25-7 | CHEMBL14563 | SB 242084)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetAromatase(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM85097(CAS_181632-25-7 | CHEMBL14563 | SB 242084)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM85097(CAS_181632-25-7 | CHEMBL14563 | SB 242084)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 3A at 1 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetAromatase(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060417(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetAromatase(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060418(5-Methylsulfanyl-6-trifluoromethyl-2,3-dihydro-ind...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50060417(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM85097(CAS_181632-25-7 | CHEMBL14563 | SB 242084)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PG1QTGPubMed
* indicates data uncertainty>20%