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PubMed code 3005574

Compile data set for download or QSAR
Found 34 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))		BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367309
PNG
(CHEMBL611892)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H22ClN5O3/c1-11(7-12-5-3-2-4-6-12)24-17-14-18(22-9-21-17)25(10-23-14)19-16(27)15(26)13(8-20)28-19/h2-6,9-11,13,15-16,19,26-27H,7-8H2,1H3,(H,21,22,24)/t11-,13-,15-,16-,19?/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367311
PNG
(CHEMBL607763)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1
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 25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50452270
PNG
(CHEMBL2112569)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C19H23N5O3/c1-12(7-13-5-3-2-4-6-13)23-17-16-18(21-10-20-17)24(11-22-16)19-15(26)8-14(9-25)27-19/h2-6,10-12,14-15,19,25-26H,7-9H2,1H3,(H,20,21,23)/t12-,14+,15-,19-/m1/s1
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 29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367310
PNG
(CHEMBL610691)
Show SMILES CSC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C20H25N5O3S/c1-12(8-13-6-4-3-5-7-13)24-18-15-19(22-10-21-18)25(11-23-15)20-17(27)16(26)14(28-20)9-29-2/h3-7,10-12,14,16-17,20,26-27H,8-9H2,1-2H3,(H,21,22,24)/t12-,14-,16-,17-,20?/m1/s1
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 29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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 120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021280
PNG
((1-Methyl-2-phenyl-ethyl)-[9-(tetrahydro-pyran-2-y...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCCO1
Show InChI InChI=1S/C19H23N5O/c1-14(11-15-7-3-2-4-8-15)23-18-17-19(21-12-20-18)24(13-22-17)16-9-5-6-10-25-16/h2-4,7-8,12-14,16H,5-6,9-11H2,1H3,(H,20,21,23)/t14-,16?/m1/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021294
PNG
((1-Methyl-2-phenyl-ethyl)-[9-(tetrahydro-furan-2-y...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCO1
Show InChI InChI=1S/C18H21N5O/c1-13(10-14-6-3-2-4-7-14)22-17-16-18(20-11-19-17)23(12-21-16)15-8-5-9-24-15/h2-4,6-7,11-13,15H,5,8-10H2,1H3,(H,19,20,22)/t13-,15?/m1/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50452272
PNG
(CHEMBL2112121)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C19H23N5O3/c1-12(7-13-5-3-2-4-6-13)23-18-17-19(21-10-20-18)24(11-22-17)16-8-14(26)15(9-25)27-16/h2-6,10-12,14-16,25-26H,7-9H2,1H3,(H,20,21,23)/t12-,14+,15-,16-/m1/s1
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 1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50367309
PNG
(CHEMBL611892)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H22ClN5O3/c1-11(7-12-5-3-2-4-6-12)24-17-14-18(22-9-21-17)25(10-23-14)19-16(27)15(26)13(8-20)28-19/h2-6,9-11,13,15-16,19,26-27H,7-8H2,1H3,(H,21,22,24)/t11-,13-,15-,16-,19?/m1/s1
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 1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021279
PNG
(5-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-pe...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(CC(O)C(O)C(O)CO)cnc12
Show InChI InChI=1S/C19H25N5O4/c1-12(7-13-5-3-2-4-6-13)23-18-16-19(21-10-20-18)24(11-22-16)8-14(26)17(28)15(27)9-25/h2-6,10-12,14-15,17,25-28H,7-9H2,1H3,(H,20,21,23)/t12-,14?,15?,17?/m1/s1
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>2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50367311
PNG
(CHEMBL607763)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1
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 3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021290
PNG
(2-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-te...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OCC(O)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(25)8-28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13?,15?,16?,19?/m1/s1
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 5.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50452270
PNG
(CHEMBL2112569)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C19H23N5O3/c1-12(7-13-5-3-2-4-6-13)23-17-16-18(21-10-20-17)24(11-22-16)19-15(26)8-14(9-25)27-19/h2-6,10-12,14-15,19,25-26H,7-9H2,1H3,(H,20,21,23)/t12-,14+,15-,19-/m1/s1
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 6.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021294
PNG
((1-Methyl-2-phenyl-ethyl)-[9-(tetrahydro-furan-2-y...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCO1
Show InChI InChI=1S/C18H21N5O/c1-13(10-14-6-3-2-4-7-14)22-17-16-18(20-11-19-17)23(12-21-16)15-8-5-9-24-15/h2-4,6-7,11-13,15H,5,8-10H2,1H3,(H,19,20,22)/t13-,15?/m1/s1
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 8.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021293
PNG
((1-Methyl-2-phenyl-ethyl)-(9H-purin-6-yl)-amine | ...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H15N5/c1-10(7-11-5-3-2-4-6-11)19-14-12-13(16-8-15-12)17-9-18-14/h2-6,8-10H,7H2,1H3,(H2,15,16,17,18,19)/t10-/m1/s1
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 9.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021283
PNG
(1-{2-Hydroxy-1-[6-(1-methyl-2-phenyl-ethylamino)-p...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C(CO)OC(O)CO
Show InChI InChI=1S/C18H23N5O4/c1-12(7-13-5-3-2-4-6-13)22-17-16-18(20-10-19-17)23(11-21-16)14(8-24)27-15(26)9-25/h2-6,10-12,14-15,24-26H,7-9H2,1H3,(H,19,20,22)/t12-,14?,15?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367308
PNG
(CHEMBL609528)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC[C@](O)(CO)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-12(7-13-5-3-2-4-6-13)23-16-14-17(21-10-20-16)24(11-22-14)18-15(26)19(27,8-25)9-28-18/h2-6,10-12,15,18,25-27H,7-9H2,1H3,(H,20,21,23)/t12-,15+,18?,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021292
PNG
(3-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-pr...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@@H](O)CO)cnc12
Show InChI InChI=1S/C17H21N5O2/c1-12(7-13-5-3-2-4-6-13)21-16-15-17(19-10-18-16)22(11-20-15)8-14(24)9-23/h2-6,10-12,14,23-24H,7-9H2,1H3,(H,18,19,21)/t12-,14-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021281
PNG
(3-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-pr...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@H](O)CO)cnc12
Show InChI InChI=1S/C17H21N5O2/c1-12(7-13-5-3-2-4-6-13)21-16-15-17(19-10-18-16)22(11-20-15)8-14(24)9-23/h2-6,10-12,14,23-24H,7-9H2,1H3,(H,18,19,21)/t12-,14+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021292
PNG
(3-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-pr...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@@H](O)CO)cnc12
Show InChI InChI=1S/C17H21N5O2/c1-12(7-13-5-3-2-4-6-13)21-16-15-17(19-10-18-16)22(11-20-15)8-14(24)9-23/h2-6,10-12,14,23-24H,7-9H2,1H3,(H,18,19,21)/t12-,14-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021281
PNG
(3-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-pr...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(C[C@H](O)CO)cnc12
Show InChI InChI=1S/C17H21N5O2/c1-12(7-13-5-3-2-4-6-13)21-16-15-17(19-10-18-16)22(11-20-15)8-14(24)9-23/h2-6,10-12,14,23-24H,7-9H2,1H3,(H,18,19,21)/t12-,14+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021286
PNG
(3-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-cy...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCC(O)C1O
Show InChI InChI=1S/C20H25N5O2/c1-13(10-14-6-3-2-4-7-14)24-19-17-20(22-11-21-19)25(12-23-17)15-8-5-9-16(26)18(15)27/h2-4,6-7,11-13,15-16,18,26-27H,5,8-10H2,1H3,(H,21,22,24)/t13-,15?,16?,18?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021283
PNG
(1-{2-Hydroxy-1-[6-(1-methyl-2-phenyl-ethylamino)-p...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C(CO)OC(O)CO
Show InChI InChI=1S/C18H23N5O4/c1-12(7-13-5-3-2-4-6-13)22-17-16-18(20-10-19-17)23(11-21-16)14(8-24)27-15(26)9-25/h2-6,10-12,14-15,24-26H,7-9H2,1H3,(H,19,20,22)/t12-,14?,15?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021286
PNG
(3-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-cy...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCC(O)C1O
Show InChI InChI=1S/C20H25N5O2/c1-13(10-14-6-3-2-4-7-14)24-19-17-20(22-11-21-19)25(12-23-17)15-8-5-9-16(26)18(15)27/h2-4,6-7,11-13,15-16,18,26-27H,5,8-10H2,1H3,(H,21,22,24)/t13-,15?,16?,18?/m1/s1
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 1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50452271
PNG
(CHEMBL2111777)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15-,16-,19-/m1/s1
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 2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021280
PNG
((1-Methyl-2-phenyl-ethyl)-[9-(tetrahydro-pyran-2-y...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1CCCCO1
Show InChI InChI=1S/C19H23N5O/c1-14(11-15-7-3-2-4-8-15)23-18-17-19(21-12-20-18)24(13-22-17)16-9-5-6-10-25-16/h2-4,7-8,12-14,16H,5-6,9-11H2,1H3,(H,20,21,23)/t14-,16?/m1/s1
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 3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021293
PNG
((1-Methyl-2-phenyl-ethyl)-(9H-purin-6-yl)-amine | ...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H15N5/c1-10(7-11-5-3-2-4-6-11)19-14-12-13(16-8-15-12)17-9-18-14/h2-6,8-10H,7H2,1H3,(H2,15,16,17,18,19)/t10-/m1/s1
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 3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50367308
PNG
(CHEMBL609528)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC[C@](O)(CO)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-12(7-13-5-3-2-4-6-13)23-16-14-17(21-10-20-16)24(11-22-14)18-15(26)19(27,8-25)9-28-18/h2-6,10-12,15,18,25-27H,7-9H2,1H3,(H,20,21,23)/t12-,15+,18?,19-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50367310
PNG
(CHEMBL610691)
Show SMILES CSC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)Cc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C20H25N5O3S/c1-12(8-13-6-4-3-5-7-13)24-18-15-19(22-10-21-18)25(11-23-15)20-17(27)16(26)14(28-20)9-29-2/h3-7,10-12,14,16-17,20,26-27H,8-9H2,1-2H3,(H,21,22,24)/t12-,14-,16-,17-,20?/m1/s1
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 5.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021295
PNG
(2-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-ylmeth...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(COCCO)cnc12
Show InChI InChI=1S/C17H21N5O2/c1-13(9-14-5-3-2-4-6-14)21-16-15-17(19-10-18-16)22(11-20-15)12-24-8-7-23/h2-6,10-11,13,23H,7-9,12H2,1H3,(H,18,19,21)/t13-/m1/s1
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 6.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50452271
PNG
(CHEMBL2111777)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15-,16-,19-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021279
PNG
(5-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-pe...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(CC(O)C(O)C(O)CO)cnc12
Show InChI InChI=1S/C19H25N5O4/c1-12(7-13-5-3-2-4-6-13)23-18-16-19(21-10-20-18)24(11-22-16)8-14(26)17(28)15(27)9-25/h2-6,10-12,14-15,17,25-28H,7-9H2,1H3,(H,20,21,23)/t12-,14?,15?,17?/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50021290
PNG
(2-[6-(1-Methyl-2-phenyl-ethylamino)-purin-9-yl]-te...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1OCC(O)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(25)8-28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13?,15?,16?,19?/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand

J Med Chem 29: 346-53 (1986)


BindingDB Entry DOI: 10.7270/Q28P612K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%