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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 10847   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2A cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.71E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.71E+3nMAssay Description:Antagonist activity at adenosine A2A receptor (unknown origin)More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  4.20E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  4.20E+3nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  6.70E+3nMAssay Description:Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  6.70E+3nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  7.90E+3nMAssay Description:Displacement of [3H]NECA from cloned human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  7.90E+3nMAssay Description:Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  7.90E+3nMAssay Description:Displacement of [125I]NECA from human cloned adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  7.90E+3nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  7.90E+3nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(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
TargetAdenosine receptor A2a(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
TargetAdenosine receptor A2a(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
TargetAdenosine receptor A2a(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+4nMAssay Description:Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips b...More 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:  1.38E+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(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(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  1.85E+4nMAssay Description:Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in in human HeLa cell membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.10E+4nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.10E+4nMAssay Description:Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.10E+4nMAssay Description:Displacement of [3H]-CGS- 21680 from adenosine A2A receptor in bovine striatal membranes.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.10E+4nMAssay Description:Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKi:  2.50E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKd:  7.00E+6nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
TargetEndochitinase B1(Aspergillus fumigatus)
University of Dundee

LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataIC50:  1.50E+6nMpH: 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
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataEC50:  2.82E+4nMAssay Description:Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKd:  3.63E+3nMAssay Description:Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
J. Uriach & Cía. S.A.

Curated by ChEMBL
LigandPNGBDBM10847(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Affinity DataKd:  6.80E+6nMAssay Description:Binding affinity to human Notum (S81 to T451 residues) Cys330Ser mutant expressed in human HEK293T cells by SPR analysisMore data for this Ligand-Target Pair