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Compile Data Set for Download or QSAR

Found 113 hits Enz. Inhib. hit(s) with all data for entry = 50001785   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.600n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.900n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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1.30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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1.30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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5.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018152
PNG
(8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)
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20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(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)
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24n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018152
PNG
(8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)
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36n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50014528
PNG
(8-Cyclohexyl-1,1,3-trimethyl-3,9-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C13H18N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,14,15)
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41n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018152
PNG
(8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)
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67n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50018152
PNG
(8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)
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73n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via Adenosine A2 receptor in rat PC12 membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018168
PNG
(8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
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85n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50014528
PNG
(8-Cyclohexyl-1,1,3-trimethyl-3,9-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C13H18N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,14,15)
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110n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018162
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
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140n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM81925
PNG
(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)
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140n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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140n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50014528
PNG
(8-Cyclohexyl-1,1,3-trimethyl-3,9-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C13H18N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,14,15)
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150n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50008416
PNG
(8-Cyclohexyl-1,3,7-trimethyl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
Show InChI InChI=1S/C14H20N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
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190n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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190n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to A1 adenosine receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018151
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)
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200n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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210n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via Adenosine A2 receptor in rat PC12 membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50004572
PNG
(8-Cyclopentyl-7-methyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(C3CCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3
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220n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50018157
PNG
(1-Methyl-8-phenyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H10N4O2/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H,15,18)
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250n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via Adenosine A2 receptor in rat PC12 membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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250n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018157
PNG
(1-Methyl-8-phenyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H10N4O2/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H,15,18)
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300n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6- (phenylisopropyl) adenosine binding to A1 adenosine receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018157
PNG
(1-Methyl-8-phenyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H10N4O2/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H,15,18)
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300n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018151
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)
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320n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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350n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018162
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
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430n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50014528
PNG
(8-Cyclohexyl-1,1,3-trimethyl-3,9-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C13H18N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,14,15)
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450n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018170
PNG
(4-[3-Isobutyl-1-(3-methyl-butyl)-2,6-dioxo-2,3,6,7...)
Show SMILES CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C20H26N4O5S/c1-12(2)9-10-23-19(25)16-18(24(20(23)26)11-13(3)4)22-17(21-16)14-5-7-15(8-6-14)30(27,28)29/h5-8,12-13H,9-11H2,1-4H3,(H,21,22)(H,27,28,29)
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520n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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710n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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760n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018167
PNG
(8-Cyclohexyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCCC1
Show InChI InChI=1S/C14H20N4O2/c1-2-8-18-12-10(13(19)17-14(18)20)15-11(16-12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16)(H,17,19,20)
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850n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018157
PNG
(1-Methyl-8-phenyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H10N4O2/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H,15,18)
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860n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82023
PNG
(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)
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1.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50018168
PNG
(8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018167
PNG
(8-Cyclohexyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCCC1
Show InChI InChI=1S/C14H20N4O2/c1-2-8-18-12-10(13(19)17-14(18)20)15-11(16-12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16)(H,17,19,20)
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1.10E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018170
PNG
(4-[3-Isobutyl-1-(3-methyl-butyl)-2,6-dioxo-2,3,6,7...)
Show SMILES CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C20H26N4O5S/c1-12(2)9-10-23-19(25)16-18(24(20(23)26)11-13(3)4)22-17(21-16)14-5-7-15(8-6-14)30(27,28)29/h5-8,12-13H,9-11H2,1-4H3,(H,21,22)(H,27,28,29)
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1.20E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82023
PNG
(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)
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1.50E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018159
PNG
(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)
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1.50E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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1.60E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via Adenosine A2 receptor in rat PC12 membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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1.60E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018154
PNG
(3-Isobutyl-1-(3-methyl-butyl)-3,7-dihydro-purine-2...)
Show SMILES CC(C)CCn1c(=O)n(CC(C)C)c2nc[nH]c2c1=O
Show InChI InChI=1S/C14H22N4O2/c1-9(2)5-6-17-13(19)11-12(16-8-15-11)18(14(17)20)7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)
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1.60E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018172
PNG
(3-Isobutyl-1-(3-methyl-butyl)-8-phenyl-3,7-dihydro...)
Show SMILES CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C20H26N4O2/c1-13(2)10-11-23-19(25)16-18(24(20(23)26)12-14(3)4)22-17(21-16)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,21,22)
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1.80E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50018162
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
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1.90E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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1.90E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM82020
PNG
(1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xan...)
Show SMILES Cn1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C6H4N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.


J Med Chem 32: 1231-7 (1989)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
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