BDBM82015 1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione::8-Phenyltheophylline::CAS_1922::CHEMBL62350::NSC_1922

SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1

InChI Key InChIKey=PJFMAVHETLRJHJ-UHFFFAOYSA-N

Data  43 KI  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 82015   

TargetAdenosine receptor A3(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibitory activity against cyclic AMP production in human adenosine A3 receptor assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2b(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 415nMAssay Description:Inhibitory activity against cyclic AMP production in human Adenosine A2B receptor assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 3nMAssay Description:Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 18nMAssay Description:Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine bindingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 454nMAssay Description:Inhibitory activity against cyclic AMP production in rat Adenosine A2A receptor assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 1.34E+3nMAssay Description:Binding Affinity for Adenosine A1 receptor expressed in CHO-K1 cells compared to [3H]CCPAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2b(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 210nMAssay Description:Inhibitory activity on NECA-induced cyclic-AMP accumulation in CHO-K1 cells expressing human Adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 8.80nMAssay Description:Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 3nMAssay Description:Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]cyclohexyladenosine as a radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataIC50: 800nMAssay Description:Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding of [3H]cyclohexyladenosine to rat cerebral cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  3.10nMAssay Description:Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  5.90nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  13nMAssay Description:Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  21nMAssay 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 Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  37nMAssay Description:Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  60nMAssay Description:Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]cyclohexyladenosine (CHA).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  60nMAssay Description:Affinity towards adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article

TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  70nMAssay Description:Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  76nMAssay Description:Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  86nMAssay Description:Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  86nMAssay Description:Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to A1 receptors in rat cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  86nMAssay Description:Binding affinity towards adenosine A1 receptor in rat whole brain membranes using N6-[3H]cyclohexyladenosineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  86nMAssay Description:Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]N6-cyclohexyladenosine as the radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  86nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  89nMAssay Description:Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]R-(phenylisopropyl)-adenosineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  89nMAssay Description:Binding affinity for adenosine A1 receptor using [3H]PIA in rat brain cortical membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  89nMAssay Description:Binding affinity against Adenosine A1 receptor by displacing [3H]CHA radioligand in rat brain cortical membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  115nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  200nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  350nMAssay Description:Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  400nMAssay Description:Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  400nMAssay Description:Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2b(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  415nMAssay Description:Binding affinity for human HEK293 adenosine A2B receptor using [125I]ABOPX in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2b(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  415nMAssay Description:Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  500nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  550nMAssay Description:Antagonism of cyclic [3H]AMP accumulation elicited by 15 uM 2-chloroadenosine in [3H]adenine-labeled guinea pig cerebral cortical slices at A2 recept...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  644nMAssay Description:Binding affinity against adenosine A2 receptor in rat striatum by the displacement of [3H]N-ethyladenosine-5''-uronamide(NECA).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  644nMAssay Description:Affinity towards adenosine A2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article

TargetAdenosine receptor A1(Rat)
University of Virginia School of Medicine

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  760nMAssay 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 Article
PubMed
TargetAdenosine receptor A2a(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  830nMAssay Description:Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 in rat brain striatal membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  848nMAssay 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 Article
PubMed
TargetAdenosine receptor A2a(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  848nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  848nMAssay 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 Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  850nMAssay Description:Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  850nMAssay 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 Article
PubMed
TargetAdenosine receptor A2a(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  850nMAssay Description:Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  970nMAssay Description:Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]CGS-21680More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via Adenosine A2 receptor in rat PC12 membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Guinea pig)
Kyowa Hakko Kogyo

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  1.60E+3nMAssay Description:Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a/A2b(Human)
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM82015(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Affinity DataKi:  1.90E+3nMAssay 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
In DepthDetails Article
PubMed
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