Compile Data Set for Download or QSAR
Report error Found 11 Enz. Inhib. hit(s) for PDB: 2A3C
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 [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 [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(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)
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 [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 [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 [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)
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)