BDBM81925 8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-Cyclopentyltheophylline (CPT)::CAS_1917::CHEMBL106265::CPT::NSC_1917

SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1

InChI Key InChIKey=SCVHFRLUNIOSGI-UHFFFAOYSA-N

Data  19 KI

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 19 hits for monomerid = 81925   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  0.460nMAssay Description:Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Universita' di Firenze

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  0.5nMAssay Description:Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Universita' di Firenze

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Sheep)
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  2.90nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  3.90nMAssay Description:Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a RadioligandMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(HAMSTER)
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  4.30nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Oryctolagus cuniculus (Rabbit))
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  6.40nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  10.9nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  11nMAssay Description:Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligandMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  11nMAssay Description:Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  24nMAssay 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
TargetAdenosine receptor A1(GUINEA PIG)
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  26.1nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(GUINEA PIG)
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  95nMAssay Description:Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligandMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
National Institutes of Health

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  140nMAssay 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
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  1.20E+3nMAssay 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
TargetAdenosine receptor A3(Homo sapiens (Human))
Universita' di Firenze

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  1.30E+3nMAssay 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
TargetAdenosine receptor A2a(Homo sapiens (Human))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  1.44E+3nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM81925(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Affinity DataKi:  1.44E+3nMAssay Description:Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranesMore data for this Ligand-Target Pair