Compile Data Set for Download or QSAR
maximum 50k data
Found 19 Enz. Inhib. hit(s) with all data for entry = 1321
TargetEndochitinase B1(Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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
TargetChitotriosidase-1(Homo sapiens (Human))
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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 ArticlePubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Homo sapiens (Human))
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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...)
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 ArticlePubMed
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...)
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 ArticlePubMedDrugBank

TargetEndochitinase B1(Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
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...)
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 ArticlePubMed
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...)
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 ArticlePubMedDrugBank

TargetEndochitinase B1(Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
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 [T138A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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 [R301K](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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 [E177A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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...)
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...)
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 [D246A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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 [D175A](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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
TargetEndochitinase B1 [A217G](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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 [Y245F](Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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(Aspergillus fumigatus)
University Of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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