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.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 10847   

TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  14nMAssay Description:Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes from CHO-A3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Sheep)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  9.05E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.23E+4nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.23E+4nMAssay Description:Antagonist activity at adenosine A3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.23E+4nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  5.23E+4nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.50E+4nMAssay Description:Binding affinity to rat adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.51E+4nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in human HeLa cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Displacement of [125I]-AB-MECA from human adenosine A3 receptor expressed in CHO cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells using [125I]-AB-MECA at 1 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Binding affinity against human adenosine A3 receptor expressed in CHO cells by [125I]AB-MECA displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  8.60E+4nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.00E+5nMAssay Description:Binding affinity to rat adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed