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PubMed code 2213835

Compile data set for download or QSAR
Found 66 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))		BDBM50014295
PNG
(5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1
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 4.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014274
PNG
(5,6-Dimethyl-2,7-diphenyl-7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-13-14(2)24(16-11-7-4-8-12-16)20-17(13)18(21)22-19(23-20)15-9-5-3-6-10-15/h3-12H,1-2H3,(H2,21,22,23)
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 24n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014294
PNG
(2-(3-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-ethyl...)
Show SMILES CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-8-5-4-6-9-16)22-19(13)20(24)25-21(26-22)17-10-7-11-18(23)12-17/h4-12,15H,1-3H3,(H2,24,25,26)
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 28n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014274
PNG
(5,6-Dimethyl-2,7-diphenyl-7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-13-14(2)24(16-11-7-4-8-12-16)20-17(13)18(21)22-19(23-20)15-9-5-3-6-10-15/h3-12H,1-2H3,(H2,21,22,23)
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 36n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014290
PNG
(2-(2-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-ethyl...)
Show SMILES CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-9-5-4-6-10-16)22-19(13)20(24)25-21(26-22)17-11-7-8-12-18(17)23/h4-12,15H,1-3H3,(H2,24,25,26)
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 52n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014270
PNG
(2-(4-Chloro-phenyl)-5,6-dimethyl-7-phenyl-7H-pyrro...)
Show SMILES Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4/c1-12-13(2)25(16-6-4-3-5-7-16)20-17(12)18(22)23-19(24-20)14-8-10-15(21)11-9-14/h3-11H,1-2H3,(H2,22,23,24)
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 122n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014280
PNG
(5,6-Dimethyl-2-phenyl-7-((S)-1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m0/s1
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 165n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014281
PNG
(2-(3-Chloro-phenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H13ClN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-4-3-5-10(15)6-9/h3-6H,1-2H3,(H3,16,17,18,19)
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 730n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014297
PNG
(9-Phenyl-3,9-dihydro-pyrimido[4,5-b]indol-4-one | ...)
Show SMILES O=c1[nH]cnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H11N3O/c20-16-14-12-8-4-5-9-13(12)19(15(14)17-10-18-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20)
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 880n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014282
PNG
(2-(2-Chloro-phenyl)-5,6-dimethyl-7-phenyl-7H-pyrro...)
Show SMILES Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C20H17ClN4/c1-12-13(2)25(14-8-4-3-5-9-14)20-17(12)18(22)23-19(24-20)15-10-6-7-11-16(15)21/h3-11H,1-2H3,(H2,22,23,24)
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 990n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014268
PNG
(2-(4-Chloro-phenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H13ClN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-3-5-10(15)6-4-9/h3-6H,1-2H3,(H3,16,17,18,19)
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 1.24E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014286
PNG
(9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...)
Show SMILES O=c1[nH]cnc2n(c3CCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C16H15N3O/c20-16-14-12-8-4-5-9-13(12)19(15(14)17-10-18-16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,20)
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 1.35E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014297
PNG
(9-Phenyl-3,9-dihydro-pyrimido[4,5-b]indol-4-one | ...)
Show SMILES O=c1[nH]cnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H11N3O/c20-16-14-12-8-4-5-9-13(12)19(15(14)17-10-18-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20)
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 1.44E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014287
PNG
(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1
Show InChI InChI=1S/C14H14N4/c1-8-9(2)16-14-11(8)12(15)17-13(18-14)10-6-4-3-5-7-10/h3-7H,1-2H3,(H3,15,16,17,18)
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 1.49E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014285
PNG
(9-Phenyl-9H-1,3,9-triaza-fluoren-4-ylamine | CHEMB...)
Show SMILES Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H12N4/c17-15-14-12-8-4-5-9-13(12)20(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18,19)
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 1.95E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014273
PNG
(CHEMBL96247 | Cyclohexyl-(9-phenyl-9H-1,3,9-triaza...)
Show SMILES C1CCC(CC1)Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C22H22N4/c1-3-9-16(10-4-1)25-21-20-18-13-7-8-14-19(18)26(22(20)24-15-23-21)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,23,24,25)
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 1.96E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014286
PNG
(9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...)
Show SMILES O=c1[nH]cnc2n(c3CCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C16H15N3O/c20-16-14-12-8-4-5-9-13(12)19(15(14)17-10-18-16)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,20)
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 2.07E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014292
PNG
(4-Chloro-9-phenyl-9H-1,3,9-triaza-fluorene | CHEMB...)
Show SMILES Clc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H10ClN3/c17-15-14-12-8-4-5-9-13(12)20(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-10H
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 2.42E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014267
PNG
(7-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine | CH...)
Show SMILES Nc1ncnc2n(ccc12)-c1ccccc1
Show InChI InChI=1S/C12H10N4/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H,(H2,13,14,15)
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 3.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014289
PNG
(9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...)
Show SMILES Nc1ncnc2n(c3CCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C16H16N4/c17-15-14-12-8-4-5-9-13(12)20(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18,19)
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 3.24E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014295
PNG
(5,6-Dimethyl-2-phenyl-7-((R)-1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m1/s1
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 3.71E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014292
PNG
(4-Chloro-9-phenyl-9H-1,3,9-triaza-fluorene | CHEMB...)
Show SMILES Clc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H10ClN3/c17-15-14-12-8-4-5-9-13(12)20(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-10H
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 4.06E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014291
PNG
(2-(2-Chloro-phenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1Cl
Show InChI InChI=1S/C14H13ClN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H3,16,17,18,19)
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 5.17E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014285
PNG
(9-Phenyl-9H-1,3,9-triaza-fluoren-4-ylamine | CHEMB...)
Show SMILES Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H12N4/c17-15-14-12-8-4-5-9-13(12)20(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18,19)
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 5.98E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014266
PNG
((9-Phenyl-9H-1,3,9-triaza-fluoren-4-yl)-hydrazine ...)
Show SMILES NNc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H13N5/c17-20-15-14-12-8-4-5-9-13(12)21(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-10H,17H2,(H,18,19,20)
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 7.71E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014266
PNG
((9-Phenyl-9H-1,3,9-triaza-fluoren-4-yl)-hydrazine ...)
Show SMILES NNc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C16H13N5/c17-20-15-14-12-8-4-5-9-13(12)21(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-10H,17H2,(H,18,19,20)
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 8.42E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014289
PNG
(9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...)
Show SMILES Nc1ncnc2n(c3CCCCc3c12)-c1ccccc1
Show InChI InChI=1S/C16H16N4/c17-15-14-12-8-4-5-9-13(12)20(16(14)19-10-18-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18,19)
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 1.09E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014269
PNG
(2,4-Bis-methanesulfonyl-9-phenyl-6,7,8,9-tetrahydr...)
Show SMILES CS(=O)(=O)c1nc(c2c3CCCCc3n(-c3ccccc3)c2n1)S(C)(=O)=O
Show InChI InChI=1S/C18H19N3O4S2/c1-26(22,23)17-15-13-10-6-7-11-14(13)21(12-8-4-3-5-9-12)16(15)19-18(20-17)27(2,24)25/h3-5,8-9H,6-7,10-11H2,1-2H3
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 1.69E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014265
PNG
(5,6-Dimethyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES Cc1c(C)c2c(N)ncnc2n1-c1ccccc1
Show InChI InChI=1S/C14H14N4/c1-9-10(2)18(11-6-4-3-5-7-11)14-12(9)13(15)16-8-17-14/h3-8H,1-2H3,(H2,15,16,17)
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 1.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014281
PNG
(2-(3-Chloro-phenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H13ClN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-4-3-5-10(15)6-9/h3-6H,1-2H3,(H3,16,17,18,19)
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 2.08E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014287
PNG
(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1
Show InChI InChI=1S/C14H14N4/c1-8-9(2)16-14-11(8)12(15)17-13(18-14)10-6-4-3-5-7-10/h3-7H,1-2H3,(H3,15,16,17,18)
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 2.13E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014267
PNG
(7-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine | CH...)
Show SMILES Nc1ncnc2n(ccc12)-c1ccccc1
Show InChI InChI=1S/C12H10N4/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H,(H2,13,14,15)
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 2.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014290
PNG
(2-(2-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-ethyl...)
Show SMILES CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-9-5-4-6-10-16)22-19(13)20(24)25-21(26-22)17-11-7-8-12-18(17)23/h4-12,15H,1-3H3,(H2,24,25,26)
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 2.81E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014278
PNG
(2,5,6-Trimethyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1c(C)c2c(N)nc(C)nc2n1-c1ccccc1
Show InChI InChI=1S/C15H16N4/c1-9-10(2)19(12-7-5-4-6-8-12)15-13(9)14(16)17-11(3)18-15/h4-8H,1-3H3,(H2,16,17,18)
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 3.04E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014268
PNG
(2-(4-Chloro-phenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H13ClN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-3-5-10(15)6-4-9/h3-6H,1-2H3,(H3,16,17,18,19)
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 3.56E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014282
PNG
(2-(2-Chloro-phenyl)-5,6-dimethyl-7-phenyl-7H-pyrro...)
Show SMILES Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C20H17ClN4/c1-12-13(2)25(14-8-4-3-5-9-14)20-17(12)18(22)23-19(24-20)15-10-6-7-11-16(15)21/h3-11H,1-2H3,(H2,22,23,24)
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 4.07E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014275
PNG
(7-Allyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Cc1c(C)c2c(N)ncnc2n1CC=C
Show InChI InChI=1S/C11H14N4/c1-4-5-15-8(3)7(2)9-10(12)13-6-14-11(9)15/h4,6H,1,5H2,2-3H3,(H2,12,13,14)
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 4.90E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014296
PNG
(4-Amino-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5,6-d...)
Show SMILES Nc1ncnc2n(c(C=O)c(C=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H10N4O2/c15-13-12-10(6-19)11(7-20)18(14(12)17-8-16-13)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)
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 5.01E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014293
PNG
(7-(2,3-Dimethoxy-phenyl)-5,6-dimethyl-7H-pyrrolo[2...)
Show SMILES COc1cccc(c1OC)-n1c(C)c(C)c2c(N)ncnc12 |(8.74,-18.23,;9.21,-16.76,;8.16,-15.62,;6.65,-15.96,;5.61,-14.82,;6.07,-13.36,;7.58,-13.04,;8.63,-14.16,;10.12,-13.83,;11.18,-14.96,;8.06,-11.56,;7.15,-10.33,;5.61,-10.33,;8.05,-9.09,;7.58,-7.61,;9.51,-9.54,;10.85,-8.77,;10.84,-7.23,;12.19,-9.54,;12.19,-11.08,;10.85,-11.85,;9.53,-11.08,)|
Show InChI InChI=1S/C16H18N4O2/c1-9-10(2)20(16-13(9)15(17)18-8-19-16)11-6-5-7-12(21-3)14(11)22-4/h5-8H,1-4H3,(H2,17,18,19)
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 5.43E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014277
PNG
(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Cc1[nH]c2ncnc(N)c2c1C
Show InChI InChI=1S/C8H10N4/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H3,9,10,11,12)
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 5.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014279
PNG
(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol | CHE...)
Show SMILES Cc1[nH]c2nc[nH]c(=O)c2c1C
Show InChI InChI=1S/C8H9N3O/c1-4-5(2)11-7-6(4)8(12)10-3-9-7/h3H,1-2H3,(H2,9,10,11,12)
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 5.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014294
PNG
(2-(3-Chloro-phenyl)-5,6-dimethyl-7-(1-phenyl-ethyl...)
Show SMILES CC(c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-8-5-4-6-9-16)22-19(13)20(24)25-21(26-22)17-10-7-11-18(23)12-17/h4-12,15H,1-3H3,(H2,24,25,26)
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 5.99E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014271
PNG
(7-Hexyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES CCCCCCn1c(C)c(C)c2c(N)ncnc12
Show InChI InChI=1S/C14H22N4/c1-4-5-6-7-8-18-11(3)10(2)12-13(15)16-9-17-14(12)18/h9H,4-8H2,1-3H3,(H2,15,16,17)
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 6.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014298
PNG
(4-Amino-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5,6-d...)
Show SMILES Nc1ncnc2n(c(C(O)=O)c(C(O)=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H10N4O4/c15-11-9-8(13(19)20)10(14(21)22)18(12(9)17-6-16-11)7-4-2-1-3-5-7/h1-6H,(H,19,20)(H,21,22)(H2,15,16,17)
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 6.70E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014296
PNG
(4-Amino-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5,6-d...)
Show SMILES Nc1ncnc2n(c(C=O)c(C=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H10N4O2/c15-13-12-10(6-19)11(7-20)18(14(12)17-8-16-13)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)
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 7.63E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014280
PNG
(5,6-Dimethyl-2-phenyl-7-((S)-1-phenyl-ethyl)-7H-py...)
Show SMILES C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)26(16(3)17-10-6-4-7-11-17)22-19(14)20(23)24-21(25-22)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25)/t16-/m0/s1
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 8.08E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014275
PNG
(7-Allyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Cc1c(C)c2c(N)ncnc2n1CC=C
Show InChI InChI=1S/C11H14N4/c1-4-5-15-8(3)7(2)9-10(12)13-6-14-11(9)15/h4,6H,1,5H2,2-3H3,(H2,12,13,14)
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 8.30E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014276
PNG
(9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...)
Show SMILES S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H15N3S2/c20-15-13-11-8-4-5-9-12(11)19(10-6-2-1-3-7-10)14(13)17-16(21)18-15/h1-3,6-7H,4-5,8-9H2,(H2,17,18,20,21)
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 8.48E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014291
PNG
(2-(2-Chloro-phenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N)c2c1C)-c1ccccc1Cl
Show InChI InChI=1S/C14H13ClN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-5-3-4-6-10(9)15/h3-6H,1-2H3,(H3,16,17,18,19)
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 8.56E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014283
PNG
(2,5,6-Trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES Cc1[nH]c2nc(C)nc(N)c2c1C
Show InChI InChI=1S/C9H12N4/c1-4-5(2)11-9-7(4)8(10)12-6(3)13-9/h1-3H3,(H3,10,11,12,13)
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 8.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014288
PNG
(2,4-Bis-methylsulfanyl-9-phenyl-6,7,8,9-tetrahydro...)
Show SMILES CSc1nc(SC)c2c3CCCCc3n(-c3ccccc3)c2n1
Show InChI InChI=1S/C18H19N3S2/c1-22-17-15-13-10-6-7-11-14(13)21(12-8-4-3-5-9-12)16(15)19-18(20-17)23-2/h3-5,8-9H,6-7,10-11H2,1-2H3
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 9.78E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50014284
PNG
(7-(4-Bromo-benzyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Cc1c(C)c2c(N)ncnc2n1Cc1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN4/c1-9-10(2)20(7-11-3-5-12(16)6-4-11)15-13(9)14(17)18-8-19-15/h3-6,8H,7H2,1-2H3,(H2,17,18,19)
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>1.00E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014265
PNG
(5,6-Dimethyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES Cc1c(C)c2c(N)ncnc2n1-c1ccccc1
Show InChI InChI=1S/C14H14N4/c1-9-10(2)18(11-6-4-3-5-7-11)14-12(9)13(15)16-8-17-14/h3-8H,1-2H3,(H2,15,16,17)
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 1.23E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014273
PNG
(CHEMBL96247 | Cyclohexyl-(9-phenyl-9H-1,3,9-triaza...)
Show SMILES C1CCC(CC1)Nc1ncnc2n(-c3ccccc3)c3ccccc3c12
Show InChI InChI=1S/C22H22N4/c1-3-9-16(10-4-1)25-21-20-18-13-7-8-14-19(18)26(22(20)24-15-23-21)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,23,24,25)
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 1.33E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014298
PNG
(4-Amino-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5,6-d...)
Show SMILES Nc1ncnc2n(c(C(O)=O)c(C(O)=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H10N4O4/c15-11-9-8(13(19)20)10(14(21)22)18(12(9)17-6-16-11)7-4-2-1-3-5-7/h1-6H,(H,19,20)(H,21,22)(H2,15,16,17)
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 1.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014284
PNG
(7-(4-Bromo-benzyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Cc1c(C)c2c(N)ncnc2n1Cc1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN4/c1-9-10(2)20(7-11-3-5-12(16)6-4-11)15-13(9)14(17)18-8-19-15/h3-6,8H,7H2,1-2H3,(H2,17,18,19)
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 1.55E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014269
PNG
(2,4-Bis-methanesulfonyl-9-phenyl-6,7,8,9-tetrahydr...)
Show SMILES CS(=O)(=O)c1nc(c2c3CCCCc3n(-c3ccccc3)c2n1)S(C)(=O)=O
Show InChI InChI=1S/C18H19N3O4S2/c1-26(22,23)17-15-13-10-6-7-11-14(13)21(12-8-4-3-5-9-12)16(15)19-18(20-17)27(2,24)25/h3-5,8-9H,6-7,10-11H2,1-2H3
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 1.57E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014279
PNG
(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol | CHE...)
Show SMILES Cc1[nH]c2nc[nH]c(=O)c2c1C
Show InChI InChI=1S/C8H9N3O/c1-4-5(2)11-7-6(4)8(12)10-3-9-7/h3H,1-2H3,(H2,9,10,11,12)
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 1.76E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014278
PNG
(2,5,6-Trimethyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1c(C)c2c(N)nc(C)nc2n1-c1ccccc1
Show InChI InChI=1S/C15H16N4/c1-9-10(2)19(12-7-5-4-6-8-12)15-13(9)14(16)17-11(3)18-15/h4-8H,1-3H3,(H2,16,17,18)
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 2.03E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014277
PNG
(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Cc1[nH]c2ncnc(N)c2c1C
Show InChI InChI=1S/C8H10N4/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H3,9,10,11,12)
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 2.08E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50228504
PNG
(CHEMBL3142684)
Show SMILES Cc1c(C)c2c(N)ncnc2n1[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
Show InChI InChI=1S/C13H18N4O3/c1-6-7(2)17(10-3-8(19)9(4-18)20-10)13-11(6)12(14)15-5-16-13/h5,8-10,18-19H,3-4H2,1-2H3,(H2,14,15,16)/t8-,9+,10+/m0/s1
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>2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014270
PNG
(2-(4-Chloro-phenyl)-5,6-dimethyl-7-phenyl-7H-pyrro...)
Show SMILES Cc1c(C)c2c(N)nc(nc2n1-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4/c1-12-13(2)25(16-6-4-3-5-7-16)20-17(12)18(22)23-19(24-20)14-8-10-15(21)11-9-14/h3-11H,1-2H3,(H2,22,23,24)
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>2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014276
PNG
(9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...)
Show SMILES S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H15N3S2/c20-15-13-11-8-4-5-9-12(11)19(10-6-2-1-3-7-10)14(13)17-16(21)18-15/h1-3,6-7H,4-5,8-9H2,(H2,17,18,20,21)
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>2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014283
PNG
(2,5,6-Trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES Cc1[nH]c2nc(C)nc(N)c2c1C
Show InChI InChI=1S/C9H12N4/c1-4-5(2)11-9-7(4)8(10)12-6(3)13-9/h1-3H3,(H3,10,11,12,13)
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>2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014288
PNG
(2,4-Bis-methylsulfanyl-9-phenyl-6,7,8,9-tetrahydro...)
Show SMILES CSc1nc(SC)c2c3CCCCc3n(-c3ccccc3)c2n1
Show InChI InChI=1S/C18H19N3S2/c1-22-17-15-13-10-6-7-11-14(13)21(12-8-4-3-5-9-12)16(15)19-18(20-17)23-2/h3-5,8-9H,6-7,10-11H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
>2.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50014271
PNG
(7-Hexyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES CCCCCCn1c(C)c(C)c2c(N)ncnc12
Show InChI InChI=1S/C14H22N4/c1-4-5-6-7-8-18-11(3)10(2)12-13(15)16-9-17-14(12)18/h9H,4-8H2,1-3H3,(H2,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 2.63E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand

J Med Chem 33: 2822-8 (1990)


BindingDB Entry DOI: 10.7270/Q27D2T4D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%