Compile Data Set for Download or QSAR

Found 35 hits of Enzyme Inhibition Constant Data   

TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50324514((+)-Ethyl 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7...)copy SMILEScopy InChI
Affinity DataIC50: 0.700nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123776((2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl...)copy SMILEScopy InChI
Affinity DataIC50: 3.5nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123777((2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123775(2-(3-aminopiperidin-1-yl)-3-(but-2-yn-1-yl)-7- met...)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM11162((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50333184(5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50212927((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM11162((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)copy SMILEScopy InChI
Affinity DataIC50: 22nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50210657((R)-3-amino-4-(2,4-dichlorophenyl)-1-(3-(trifluoro...)copy SMILEScopy InChI
Affinity DataIC50: 23nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123778((3R)-1-{[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}-4- (...)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123779((2R)-2-[4-({2-[(2S)-1-[(3R)-3-amino-4-(5-fluoro-2-...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123774(2-((2-(6,7-Dimethoxy-3,4- dihydroisoquinolin-2(1H)...)copy SMILEScopy InChI
Affinity DataIC50: 78nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123773(N-(2,4-Dichlorophenyl)-2-((2-(6,7- dimethoxy-3,4-d...)copy SMILEScopy InChI
Affinity DataIC50: 92nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123772(N-(4-Cyanophenyl)-2-((2-(6,7-dimethoxy- 3,4-dihydr...)copy SMILEScopy InChI
Affinity DataIC50: 133nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123768(2-((2-(6,7-Dimethoxy-3,4- dihydroisoquinolin-2(1H)...)copy SMILEScopy InChI
Affinity DataIC50: 148nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123770(N-(4-Chlorophenyl)-2-((2-(6,7-dimethoxy- 3,4-dihyd...)copy SMILEScopy InChI
Affinity DataIC50: 156nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123767(2-((2-(6,7-Dimethoxy-3,4- dihydroisoquinolin-2(1H)...)copy SMILEScopy InChI
Affinity DataIC50: 178nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123766(N-(2,4-Dichlorophenyl)-2-((2-(6,7- dimethoxy-3,4-d...)copy SMILEScopy InChI
Affinity DataIC50: 182nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123769(2-((2-(6,7-Dimethoxy-3,4- dihydroisoquinolin-2(1H)...)copy SMILEScopy InChI
Affinity DataIC50: 226nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123780(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)copy SMILEScopy InChI
Affinity DataIC50: 240nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123771(N-(3-Chloro-4-fluorophenyl)-2-((2-(6,7- dimethoxy-...)copy SMILEScopy InChI
Affinity DataIC50: 245nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123763(N-(4-Chlorophenyl)-2-((2-(6,7-dimethoxy- 3,4-dihyd...)copy SMILEScopy InChI
Affinity DataIC50: 267nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123761(2-((2-(6,7-Dimethoxy-3,4- dihydroisoquinolin-2(1H)...)copy SMILEScopy InChI
Affinity DataIC50: 271nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM15463(4-[(3R)-3-[(2-oxo-2- phenylethyl)amino]butyl]benza...)copy SMILEScopy InChI
Affinity DataIC50: 280nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123764(N-(3-Chloro-4-fluorophenyl)-2-((2-(6,7- dimethoxy-...)copy SMILEScopy InChI
Affinity DataIC50: 298nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123781(3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenyl...)copy SMILEScopy InChI
Affinity DataIC50: 360nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123762(2-((2-(6,7-Dimethoxy-3,4- dihydroisoquinolin-2(1H)...)copy SMILEScopy InChI
Affinity DataIC50: 387nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123782((2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1- [(3...)copy SMILEScopy InChI
Affinity DataIC50: 480nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123765(N-(4-Cyanophenyl)-2-((2-(6,7-dimethoxy- 3,4-dihydr...)copy SMILEScopy InChI
Affinity DataIC50: 494nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123783(1-{2-[(1-hydroxy-2-methylpropan-2- yl)amino]acetyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.11E+3nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50151805((R)-3-Amino-4-phenyl-1-thiazolidin-3-yl-butan-1-on...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123784((2S)-2-[4-({[(2S)-1-[(2S)-2-amino-2- cyclohexylace...)copy SMILEScopy InChI
Affinity DataIC50: 7.20E+3nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50350563(CHEMBL1812728 | CHEMBL1812728 (26))copy SMILEScopy InChI
Affinity DataIC50: 1.60E+4nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123785((2S,3S)-2-amino-3-[4-fluoro-2- (trifluoromethyl)ph...)copy SMILEScopy InChI
Affinity DataIC50: 5.40E+4nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D21W96PubMed
* indicates data uncertainty>20%