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

Data  9 KI  15 IC50  10 Kd

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 10850   

TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institute Of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi:  5.18E+3nMAssay Description:Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAdenosine receptor A1(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetEndochitinase B1(Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
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
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi:  3.77E+4nMAssay Description:Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal muscle homogenateMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(GUINEA PIG)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM10850(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Affinity DataKi:  1.80E+5nMAssay Description:Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed