BDBM10850 1-(5-Oxohexyl)theobromine (pentoxifylline)::3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione::3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione::CHEMBL628::Pentoxifylline::Pentoxil::Pentoxyphylline
SMILES CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
InChI Key InChIKey=BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 13 hits for monomerid = 10850
Affinity DataKi: 3.70E+4nM ΔG°: -6.28kcal/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
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
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
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
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
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
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
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
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
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
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
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
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