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PubMed code 14761205

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
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))		BDBM50139872
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N5O7S/c1-2-3-12-25-20(27)17-19(24-21(25)28)23-18(22-17)13-4-10-16(11-5-13)34(31,32)33-15-8-6-14(7-9-15)26(29)30/h4-11H,2-3,12H2,1H3,(H,22,23)(H,24,28)
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 2.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139876
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)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O7S/c1-3-13-26-21-19(22(29)27(14-4-2)23(26)30)24-20(25-21)15-5-11-18(12-6-15)36(33,34)35-17-9-7-16(8-10-17)28(31)32/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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 2.70n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139869
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O7S/c1-2-11-24-19(26)16-18(23-20(24)27)22-17(21-16)12-3-9-15(10-4-12)33(30,31)32-14-7-5-13(6-8-14)25(28)29/h3-10H,2,11H2,1H3,(H,21,22)(H,23,27)
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 3.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139871
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)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O7S/c1-3-12-26-21-19(22(29)27(13-4-2)23(26)30)24-20(25-21)15-8-10-18(11-9-15)36(33,34)35-17-7-5-6-16(14-17)28(31)32/h5-11,14H,3-4,12-13H2,1-2H3,(H,24,25)
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 4.40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor 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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 4.70n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-ZM-241,385 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50139869
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O7S/c1-2-11-24-19(26)16-18(23-20(24)27)22-17(21-16)12-3-9-15(10-4-12)33(30,31)32-14-7-5-13(6-8-14)25(28)29/h3-10H,2,11H2,1H3,(H,21,22)(H,23,27)
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 5.40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139874
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N5O7S/c1-2-3-11-25-20(27)17-19(24-21(25)28)23-18(22-17)13-7-9-16(10-8-13)34(31,32)33-15-6-4-5-14(12-15)26(29)30/h4-10,12H,2-3,11H2,1H3,(H,22,23)(H,24,28)
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 5.70n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139878
PNG
(4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H13N5O7S/c1-22-17(24)14-16(21-18(22)25)20-15(19-14)10-2-8-13(9-3-10)31(28,29)30-12-6-4-11(5-7-12)23(26)27/h2-9H,1H3,(H,19,20)(H,21,25)
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 6.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139875
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O7S/c1-2-10-24-19(26)16-18(23-20(24)27)22-17(21-16)12-6-8-15(9-7-12)33(30,31)32-14-5-3-4-13(11-14)25(28)29/h3-9,11H,2,10H2,1H3,(H,21,22)(H,23,27)
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 6.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139877
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)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N5O7S/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)11-3-9-14(10-4-11)32(29,30)31-13-7-5-12(6-8-13)24(27)28/h3-10H,1-2H3,(H,20,21)
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 7.70n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
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



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50110985
PNG
(1-Butyl-8-phenyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-2-3-9-19-14(20)11-13(18-15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,16,17)(H,18,21)
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 11.8n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-ZM-241,385 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50139875
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O7S/c1-2-10-24-19(26)16-18(23-20(24)27)22-17(21-16)12-6-8-15(9-7-12)33(30,31)32-14-5-3-4-13(11-14)25(28)29/h3-9,11H,2,10H2,1H3,(H,21,22)(H,23,27)
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 13n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139876
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)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O7S/c1-3-13-26-21-19(22(29)27(14-4-2)23(26)30)24-20(25-21)15-5-11-18(12-6-15)36(33,34)35-17-9-7-16(8-10-17)28(31)32/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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 16n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139873
PNG
(4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H13N5O7S/c1-22-17(24)14-16(21-18(22)25)20-15(19-14)10-5-7-13(8-6-10)31(28,29)30-12-4-2-3-11(9-12)23(26)27/h2-9H,1H3,(H,19,20)(H,21,25)
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 18n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor 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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 18.9n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human HEK-293 adenosine A2B receptor using [125I]-ABOPX in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139874
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N5O7S/c1-2-3-11-25-20(27)17-19(24-21(25)28)23-18(22-17)13-7-9-16(10-8-13)34(31,32)33-15-6-4-5-14(12-15)26(29)30/h4-10,12H,2-3,11H2,1H3,(H,22,23)(H,24,28)
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 21n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139879
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)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N5O7S/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)11-6-8-14(9-7-11)32(29,30)31-13-5-3-4-12(10-13)24(27)28/h3-10H,1-2H3,(H,20,21)
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 21n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50139874
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N5O7S/c1-2-3-11-25-20(27)17-19(24-21(25)28)23-18(22-17)13-7-9-16(10-8-13)34(31,32)33-15-6-4-5-14(12-15)26(29)30/h4-10,12H,2-3,11H2,1H3,(H,22,23)(H,24,28)
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 23n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50139872
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N5O7S/c1-2-3-12-25-20(27)17-19(24-21(25)28)23-18(22-17)13-4-10-16(11-5-13)34(31,32)33-15-8-6-14(7-9-15)26(29)30/h4-11H,2-3,12H2,1H3,(H,22,23)(H,24,28)
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 26n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139871
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)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O7S/c1-3-12-26-21-19(22(29)27(13-4-2)23(26)30)24-20(25-21)15-8-10-18(11-9-15)36(33,34)35-17-7-5-6-16(14-17)28(31)32/h5-11,14H,3-4,12-13H2,1-2H3,(H,24,25)
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 28n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139878
PNG
(4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H13N5O7S/c1-22-17(24)14-16(21-18(22)25)20-15(19-14)10-2-8-13(9-3-10)31(28,29)30-12-6-4-11(5-7-12)23(26)27/h2-9H,1H3,(H,19,20)(H,21,25)
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 34n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50110985
PNG
(1-Butyl-8-phenyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-2-3-9-19-14(20)11-13(18-15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,16,17)(H,18,21)
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 40n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50139871
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)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O7S/c1-3-12-26-21-19(22(29)27(13-4-2)23(26)30)24-20(25-21)15-8-10-18(11-9-15)36(33,34)35-17-7-5-6-16(14-17)28(31)32/h5-11,14H,3-4,12-13H2,1-2H3,(H,24,25)
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 43n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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 53.4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-ZM-241,385 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139875
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O7S/c1-2-10-24-19(26)16-18(23-20(24)27)22-17(21-16)12-6-8-15(9-7-12)33(30,31)32-14-5-3-4-13(11-14)25(28)29/h3-9,11H,2,10H2,1H3,(H,21,22)(H,23,27)
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 54n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139873
PNG
(4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H13N5O7S/c1-22-17(24)14-16(21-18(22)25)20-15(19-14)10-5-7-13(8-6-10)31(28,29)30-12-4-2-3-11(9-12)23(26)27/h2-9H,1H3,(H,19,20)(H,21,25)
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 63n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
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



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50139870
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C15H16N4O5S/c1-2-3-8-19-14(20)11-13(18-15(19)21)17-12(16-11)9-4-6-10(7-5-9)25(22,23)24/h4-7H,2-3,8H2,1H3,(H,16,17)(H,18,21)(H,22,23,24)
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 70n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-ZM-241,385 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139869
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O7S/c1-2-11-24-19(26)16-18(23-20(24)27)22-17(21-16)12-3-9-15(10-4-12)33(30,31)32-14-7-5-13(6-8-14)25(28)29/h3-10H,2,11H2,1H3,(H,21,22)(H,23,27)
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 74n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139872
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N5O7S/c1-2-3-12-25-20(27)17-19(24-21(25)28)23-18(22-17)13-4-10-16(11-5-13)34(31,32)33-15-8-6-14(7-9-15)26(29)30/h4-11H,2-3,12H2,1H3,(H,22,23)(H,24,28)
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 78n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
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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 89n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139877
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)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N5O7S/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)11-3-9-14(10-4-11)32(29,30)31-13-7-5-12(6-8-13)24(27)28/h3-10H,1-2H3,(H,20,21)
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 99n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139879
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)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N5O7S/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)11-6-8-14(9-7-11)32(29,30)31-13-5-3-4-12(10-13)24(27)28/h3-10H,1-2H3,(H,20,21)
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 117n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A3


(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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 183n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor using [3H]-PBS-11 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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 190n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
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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 210n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor 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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 250n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
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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 260n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor 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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 415n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human HEK-293 adenosine A2B receptor using [125I]-ABOPX in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139870
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C15H16N4O5S/c1-2-3-8-19-14(20)11-13(18-15(19)21)17-12(16-11)9-4-6-10(7-5-9)25(22,23)24/h4-7H,2-3,8H2,1H3,(H,16,17)(H,18,21)(H,22,23,24)
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 475n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50110985
PNG
(1-Butyl-8-phenyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-2-3-9-19-14(20)11-13(18-15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,16,17)(H,18,21)
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 642n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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 850n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50139868
PNG
(4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C12H10N4O5S/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)6-2-4-7(5-3-6)22(19,20)21/h2-5H,1H3,(H,13,14)(H,15,18)(H,19,20,21)
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 1.24E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Dispalcement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		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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 1.33E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human HEK-293 adenosine A2B receptor using [125I]-ABOPX in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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 1.40E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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 1.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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 2.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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 2.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50139871
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)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O7S/c1-3-12-26-21-19(22(29)27(13-4-2)23(26)30)24-20(25-21)15-8-10-18(11-9-15)36(33,34)35-17-7-5-6-16(14-17)28(31)32/h5-11,14H,3-4,12-13H2,1-2H3,(H,24,25)
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 4.30E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor using [3H]-PBS-11 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139870
PNG
(4-(1-Butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8...)
Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C15H16N4O5S/c1-2-3-8-19-14(20)11-13(18-15(19)21)17-12(16-11)9-4-6-10(7-5-9)25(22,23)24/h4-7H,2-3,8H2,1H3,(H,16,17)(H,18,21)(H,22,23,24)
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 8.07E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		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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 1.10E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor using [3H]-PBS-11 in CHO cell membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50139868
PNG
(4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C12H10N4O5S/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)6-2-4-7(5-3-6)22(19,20)21/h2-5H,1H3,(H,13,14)(H,15,18)(H,19,20,21)
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 1.18E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
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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 1.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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 1.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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 2.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes

J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%