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PubMed code 8410976

Compile data set for download or QSAR
Found 60 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))
BDBM50045350
PNG
(1,3-Dipropyl-8-(4-trifluoromethyl-phenyl)-3,7-dihy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O2/c1-3-9-24-15-13(16(26)25(10-4-2)17(24)27)22-14(23-15)11-5-7-12(8-6-11)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,22,23)
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PubMed
7.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021452
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(N)(=O)=O
Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)
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8.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
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
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045350
PNG
(1,3-Dipropyl-8-(4-trifluoromethyl-phenyl)-3,7-dihy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O2/c1-3-9-24-15-13(16(26)25(10-4-2)17(24)27)22-14(23-15)11-5-7-12(8-6-11)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,22,23)
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42n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50021452
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(N)(=O)=O
Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)
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75n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
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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76n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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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140n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
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
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045347
PNG
(1,3-Dimethyl-8-(4-trifluoromethyl-phenyl)-3,7-dihy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2/c1-20-11-9(12(22)21(2)13(20)23)18-10(19-11)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3,(H,18,19)
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150n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045355
PNG
(8-Cyclobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-d...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCC1
Show InChI InChI=1S/C11H14N4O2/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,12,13)
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190n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045347
PNG
(1,3-Dimethyl-8-(4-trifluoromethyl-phenyl)-3,7-dihy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2/c1-20-11-9(12(22)21(2)13(20)23)18-10(19-11)7-3-5-8(6-4-7)14(15,16)17/h3-6H,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
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045346
PNG
(1,3-Dimethyl-8-pent-1-enyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCC=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H16N4O2/c1-4-5-6-7-8-13-9-10(14-8)15(2)12(18)16(3)11(9)17/h6-7H,4-5H2,1-3H3,(H,13,14)
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380n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045346
PNG
(1,3-Dimethyl-8-pent-1-enyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCC=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H16N4O2/c1-4-5-6-7-8-13-9-10(14-8)15(2)12(18)16(3)11(9)17/h6-7H,4-5H2,1-3H3,(H,13,14)
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440n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045349
PNG
(8-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(13-8(3)14-10)11(17)16(7-5-2)12(15)18/h4-7H2,1-3H3,(H,13,14)
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600n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045343
PNG
(3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cn1c(\C=C\C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+
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610n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045353
PNG
(1,7-Diallyl-3-methyl-8-phenyl-3,7-dihydro-purine-2...)
Show SMILES Cn1c2nc(-c3ccccc3)n(CC=C)c2c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C18H18N4O2/c1-4-11-21-14-16(19-15(21)13-9-7-6-8-10-13)20(3)18(24)22(12-5-2)17(14)23/h4-10H,1-2,11-12H2,3H3
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660n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
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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700n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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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790n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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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970n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
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
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045342
PNG
(1,3,7-Trimethyl-8-pent-1-enyl-3,7-dihydro-purine-2...)
Show SMILES CCC\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C13H18N4O2/c1-5-6-7-8-9-14-11-10(15(9)2)12(18)17(4)13(19)16(11)3/h7-8H,5-6H2,1-4H3/b8-7+
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1.60E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(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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2.60E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045355
PNG
(8-Cyclobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-d...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCC1
Show InChI InChI=1S/C11H14N4O2/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,12,13)
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2.80E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045349
PNG
(8-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(13-8(3)14-10)11(17)16(7-5-2)12(15)18/h4-7H2,1-3H3,(H,13,14)
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2.80E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045339
PNG
(7-Allyl-1,3-dipropyl-8-(4-trifluoromethyl-phenyl)-...)
Show SMILES CCCn1c2nc(-c3ccc(cc3)C(F)(F)F)n(CC=C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H23F3N4O2/c1-4-11-26-16-18(27(12-5-2)20(30)28(13-6-3)19(16)29)25-17(26)14-7-9-15(10-8-14)21(22,23)24/h4,7-10H,1,5-6,11-13H2,2-3H3
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2.90E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045352
PNG
(3,7-Dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-9-11(17(2)13(19)15-12(9)18)14-10(16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,18,19)
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3.40E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045356
PNG
(3,7-Dimethyl-8-(4-trifluoromethyl-phenyl)-3,7-dihy...)
Show SMILES Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2/c1-20-9-11(21(2)13(23)19-12(9)22)18-10(20)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3,(H,19,22,23)
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3.70E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045339
PNG
(7-Allyl-1,3-dipropyl-8-(4-trifluoromethyl-phenyl)-...)
Show SMILES CCCn1c2nc(-c3ccc(cc3)C(F)(F)F)n(CC=C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H23F3N4O2/c1-4-11-26-16-18(27(12-5-2)20(30)28(13-6-3)19(16)29)25-17(26)14-7-9-15(10-8-14)21(22,23)24/h4,7-10H,1,5-6,11-13H2,2-3H3
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4.20E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045336
PNG
(1,3,7,8-Tetramethyl-3,7-dihydro-purine-2,6-dione |...)
Show SMILES Cc1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C9H12N4O2/c1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3/h1-4H3
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PubMed
4.90E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045340
PNG
(1-Allyl-3,7-dimethyl-8-(4-trifluoromethyl-phenyl)-...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2/c1-4-9-24-15(25)12-14(23(3)16(24)26)21-13(22(12)2)10-5-7-11(8-6-10)17(18,19)20/h4-8H,1,9H2,2-3H3
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5.70E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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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5.80E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM15336
PNG
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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5.80E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM15336
PNG
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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7.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045336
PNG
(1,3,7,8-Tetramethyl-3,7-dihydro-purine-2,6-dione |...)
Show SMILES Cc1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C9H12N4O2/c1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3/h1-4H3
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7.60E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045353
PNG
(1,7-Diallyl-3-methyl-8-phenyl-3,7-dihydro-purine-2...)
Show SMILES Cn1c2nc(-c3ccccc3)n(CC=C)c2c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C18H18N4O2/c1-4-11-21-14-16(19-15(21)13-9-7-6-8-10-13)20(3)18(24)22(12-5-2)17(14)23/h4-10H,1-2,11-12H2,3H3
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7.70E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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8.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020853
PNG
(1,3,8-Trimethyl-3,7-dihydro-purine-2,6-dione | CHE...)
Show SMILES Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)
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8.80E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045338
PNG
(1-Allyl-3,7-dimethyl-8-phenyl-3,7-dihydro-purine-2...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C16H16N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
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9.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045342
PNG
(1,3,7-Trimethyl-8-pent-1-enyl-3,7-dihydro-purine-2...)
Show SMILES CCC\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C13H18N4O2/c1-5-6-7-8-9-14-11-10(15(9)2)12(18)17(4)13(19)16(11)3/h7-8H,5-6H2,1-4H3/b8-7+
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9.10E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045345
PNG
(8-Bromo-1,3-dimethyl-3,7-dihydro-purine-2,6-dione ...)
Show SMILES Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
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1.02E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045340
PNG
(1-Allyl-3,7-dimethyl-8-(4-trifluoromethyl-phenyl)-...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2/c1-4-9-24-15(25)12-14(23(3)16(24)26)21-13(22(12)2)10-5-7-11(8-6-10)17(18,19)20/h4-8H,1,9H2,2-3H3
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1.10E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045338
PNG
(1-Allyl-3,7-dimethyl-8-phenyl-3,7-dihydro-purine-2...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C16H16N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
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1.20E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045354
PNG
(8-Bromo-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dio...)
Show SMILES Cn1c(Br)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
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1.20E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045352
PNG
(3,7-Dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-9-11(17(2)13(19)15-12(9)18)14-10(16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,18,19)
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1.20E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045343
PNG
(3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cn1c(\C=C\C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+
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1.20E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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1.40E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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1.50E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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1.60E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045341
PNG
(1,3,7-Trimethyl-8-(4-trifluoromethyl-phenyl)-3,7-d...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O2/c1-20-10-12(21(2)14(24)22(3)13(10)23)19-11(20)8-4-6-9(7-5-8)15(16,17)18/h4-7H,1-3H3
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1.60E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045341
PNG
(1,3,7-Trimethyl-8-(4-trifluoromethyl-phenyl)-3,7-d...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O2/c1-20-10-12(21(2)14(24)22(3)13(10)23)19-11(20)8-4-6-9(7-5-8)15(16,17)18/h4-7H,1-3H3
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1.70E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045351
PNG
(8-Cyclobutyl-1,3,7-trimethyl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCC1
Show InChI InChI=1S/C12H16N4O2/c1-14-8-10(13-9(14)7-5-4-6-7)15(2)12(18)16(3)11(8)17/h7H,4-6H2,1-3H3
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1.90E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018169
PNG
(4-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)8-4-6-9(7-5-8)24(21,22)23/h4-7H,1-3H3,(H,21,22,23)
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2.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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2.30E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045344
PNG
(4-(1-Allyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C16H16N4O5S/c1-4-9-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)10-5-7-11(8-6-10)26(23,24)25/h4-8H,1,9H2,2-3H3,(H,23,24,25)
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2.70E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50045348
PNG
(1,3,7-Trimethyl-8-trifluoromethyl-3,7-dihydro-puri...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C(F)(F)F
Show InChI InChI=1S/C9H9F3N4O2/c1-14-4-5(13-7(14)9(10,11)12)15(2)8(18)16(3)6(4)17/h1-3H3
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2.90E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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2.90E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045351
PNG
(8-Cyclobutyl-1,3,7-trimethyl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCC1
Show InChI InChI=1S/C12H16N4O2/c1-14-8-10(13-9(14)7-5-4-6-7)15(2)12(18)16(3)11(8)17/h7H,4-6H2,1-3H3
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3.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50037430
PNG
((E)-3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydr...)
Show SMILES Cn1c(\C=C\C(O)=O)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C11H12N4O4/c1-13-6(4-5-7(16)17)12-9-8(13)10(18)15(3)11(19)14(9)2/h4-5H,1-3H3,(H,16,17)/b5-4+
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4.20E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045354
PNG
(8-Bromo-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dio...)
Show SMILES Cn1c(Br)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
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4.90E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50045337
PNG
(8-Bromo-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6...)
Show SMILES CC(C)Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H13BrN4O2/c1-5(2)4-15-7-6(12-9(11)13-7)8(16)14(3)10(15)17/h5H,4H2,1-3H3,(H,12,13)
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6.50E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%