Compile Data Set for Download or QSAR
Found 26 with Last Name = 'vora' and Initial = 'ka'
TargetEndochitinase B1(Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKi:  3.70E+4nM ΔG°:  -26.3kJ/mole IC50: 1.26E+5nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50476040(CHEMBL219796)copy SMILEScopy InChI
Affinity DataIC50: 0.510nMAssay Description:Inhibition of p38More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2S35PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50194461(7-amino-5-(2,4-difluorophenyl)-1-(2,6-difluorophen...)copy SMILEScopy InChI
Affinity DataIC50: 0.690nMAssay Description:Inhibition of p38More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2S35PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50476039(CHEMBL219869)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMAssay Description:Inhibition of p38More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2S35PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50476037(CHEMBL218968)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMAssay Description:Inhibition of p38More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2S35PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50476038(CHEMBL218856)copy SMILEScopy InChI
Affinity DataIC50: 9.30nMAssay Description:Inhibition of p38More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2S35PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50476035(CHEMBL424918)copy SMILEScopy InChI
Affinity DataIC50: 9.70nMAssay Description:Inhibition of p38More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2S35PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50476036(CHEMBL216650)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of p38More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2S35PubMed
TargetChitotriosidase-1(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataIC50: 9.80E+4nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765CJGPubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataIC50: 1.68E+5nMpH: 7.5 T: 2°CAssay Description:Phosphodiesterase 4A (PDE4A) was assayed using an Sf9-expressed GST-fusion, and activity was monitored by hydrolysis of [3H]cAMP to [3H]AMP using the...More data for this Ligand-Target Pair
TargetChitotriosidase-1(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)copy SMILEScopy InChI
Affinity DataIC50: 2.57E+5nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765CJGPubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)copy SMILEScopy InChI
Affinity DataIC50: 3.86E+5nMpH: 7.5 T: 2°CAssay Description:Phosphodiesterase 4A (PDE4A) was assayed using an Sf9-expressed GST-fusion, and activity was monitored by hydrolysis of [3H]cAMP to [3H]AMP using the...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765CJGPubMedDrugBank
TargetEndochitinase B1(Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)copy SMILEScopy InChI
Affinity DataIC50: 4.69E+5nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
TargetChitotriosidase-1(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+5nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765CJGPubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)copy SMILEScopy InChI
Affinity DataIC50: 7.47E+5nMpH: 7.5 T: 2°CAssay Description:Phosphodiesterase 4A (PDE4A) was assayed using an Sf9-expressed GST-fusion, and activity was monitored by hydrolysis of [3H]cAMP to [3H]AMP using the...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765CJGPubMedDrugBank
TargetEndochitinase B1(Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+6nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
TargetEndochitinase B1 [R301K](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  1.70E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [T138A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  6.50E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [Y245F](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  6.40E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [D246A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  6.20E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [A217G](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  7.70E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1(Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  4.30E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [E177A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  3.60E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [M243A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  1.80E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [E322A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  4.50E+4nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair
TargetEndochitinase B1 [D175A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)copy SMILEScopy InChI
Affinity DataKd:  1.00E+5nMAssay Description:Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ...More data for this Ligand-Target Pair