Compile Data Set for Download or QSAR
Report error Found 19 Enz. Inhib. hit(s) with all data for entry = 1321
TargetEndochitinase B1(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  4.30E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [Y245F](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  6.40E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [T138A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  6.50E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [R301K](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  1.70E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [E177A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  3.60E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [M243A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  1.80E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [E322A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  4.50E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [D246A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  6.20E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [D175A](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  1.00E+5nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndochitinase B1 [A217G](Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKd:  7.70E+4nMAssay 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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitotriosidase-1(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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(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
In Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitotriosidase-1(Human)
University of Dundee

LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Human)
University of Dundee

LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMed
TargetEndochitinase B1(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
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
In Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitotriosidase-1(Human)
University of Dundee

LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A(Human)
University of Dundee

LigandPNGBDBM10849(CHEMBL113 | 1,3,7-trimethyl-3,7-dihydropurine-2,6-...)
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 Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMed
TargetEndochitinase B1(Neosartorya fumigata)
University of Dundee

LigandPNGBDBM10847(Theophylline (1,3-dimethylxanthine) | 1,3-dimethyl...)
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
In Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMed
TargetEndochitinase B1(Neosartorya fumigata)
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
In Depth
Date in BDB:
8/30/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)