BDBM10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine)

SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O

InChI Key InChIKey=ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Data  177 KI  25 IC50  4 Kd  1 EC50

PDB links: 14 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 10847   

TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.31E+3nMAssay Description:Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a RadioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  4.80E+3nMAssay Description:Inhibition of adenosine stimulated accumulation of cyclic AMP at Adenosine A2 receptor of VA13 fibroblasts of ratMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.38E+4nMAssay Description:In vitro binding affinity to Adenosine A2 receptor of human platelets by inhibition of NECA-stimulated adenylate cyclaseMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.40E+4nMAssay Description:Inhibition of 2-CADO-stimulated adenylate cyclase at Adenosine A2 receptor in guinea pig cerebral cortical slicesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.40E+4nMAssay Description:Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.60E+4nMAssay Description:Inhibition of [3H]5'-(N-ethylcarbamoyl)-adenosine binding to Adenosine A2 receptor in rat striatal membranes in the presence of 50 nM cyclopentyladen...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.60E+4nMAssay Description:Binding affinity against Adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.60E+4nMAssay Description:Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.60E+4nMAssay Description:Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ethyladenosin-5'- uronamide displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.60E+4nMAssay Description:Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.66E+4nMAssay Description:Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligandMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.70E+4nMAssay Description:Antagonism of N-ethylcarboxamido adenosine-stimulated adenylate cyclase associated with stimulation of Adenosine A2 receptor of rat PC12 membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.20E+4nMAssay Description:Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.50E+4nMAssay Description:Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.50E+4nMAssay Description:Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.50E+4nMAssay Description:Binding affinity for Adenosine A2 receptor from rat striatum using [3H]NECA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.53E+4nMAssay Description:Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.53E+4nMAssay Description:Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.53E+4nMAssay Description:Binding affinity towards adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.53E+4nMAssay Description:Binding affinity against Adenosine A2 receptor using N-[3H]-ethyl adenosine-5-uronamide in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed