Compile Data Set for Download or QSAR

Found 22 hits of Enzyme Inhibition Constant Data   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM50201124(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Concentration required to inhibit Cytochrome P450 1A2 in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM50201124(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM50201124(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM50201124(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Concentration required to inhibit Cytochrome P450 2C9 in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM50201124(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetInsulin receptor(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 73nMAssay Description:In vitro inhibitory concentration against IR kinase with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:In vitro inhibitory concentration against IGF-1R kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 110nMAssay Description:In vitro inhibitory concentration against IGF-1R Sal kinase with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetFocal adhesion kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:In vitro inhibitory concentration against FAK with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM50201124(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:In vitro inhibitory concentration against IGF-1R kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 182nMAssay Description:In vitro inhibitory concentration against MEK with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 341nMAssay Description:In vitro inhibitory concentration against LCK with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP2C9 in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:In vitro inhibitory concentration against VEGFR2 with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+3nMAssay Description:In vitro inhibitory concentration EGF receptor with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetHepatocyte growth factor receptor(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 4.87E+3nMAssay Description:In vitro inhibitory concentration against Met with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 5.30E+3nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 1.71E+4nMAssay Description:In vitro inhibitory concentration against HER2 with ATP concentration at 1/2KmMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+4nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP1A2 in vitro by 50%More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Co

Curated by ChEMBL
LigandPNGBDBM27879(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)copy SMILEScopy InChI
Affinity DataIC50: 4.00E+4nMAssay Description:Concentration required to inhibit cytochrome P450 isozyme CYP2D6 in vitro by 50%; b = not determinedMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MW2GPPPubMed
* indicates data uncertainty>20%