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  3 Kd  1 EC50

PDB links: 14 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 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:  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 A1(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  7.40E+3nMAssay Description:In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIAMore 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 A1(Rattus norvegicus (rat))
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:Binding of 1 nM [3H]CHA to Adenosine A1 receptor of rat cerebral cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed