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PubMed code 8496902

Compile data set for download or QSAR
Found 139 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 A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047159
PNG
(1,3-Dimethyl-7-phenethyl-8-[2-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CCc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H28N4O5/c1-28-24-22(25(31)29(2)26(28)32)30(14-13-17-9-7-6-8-10-17)21(27-24)12-11-18-15-19(33-3)23(35-5)20(16-18)34-4/h6-12,15-16H,13-14H2,1-5H3/b12-11+
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 14n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047206
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-7-methyl-1,3-dipropyl...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(N)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H25N5O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h6-10,13H,4-5,11-12,21H2,1-3H3/b10-9+
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 19n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006713
PNG
(1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
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 22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047197
PNG
(8-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)24(3)18(23-20)9-8-15-12-16(29-4)14-17(13-15)30-5/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+
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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 in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 31n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047159
PNG
(1,3-Dimethyl-7-phenethyl-8-[2-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CCc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H28N4O5/c1-28-24-22(25(31)29(2)26(28)32)30(14-13-17-9-7-6-8-10-17)21(27-24)12-11-18-15-19(33-3)23(35-5)20(16-18)34-4/h6-12,15-16H,13-14H2,1-5H3/b12-11+
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 32n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047160
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-7-methyl-1,3-dipropy...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(F)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23FN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
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 33n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047183
PNG
(CHEMBL25859 | N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2...)
Show SMILES CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H19N5O3/c1-11(24)19-13-7-5-6-12(10-13)8-9-14-20-16-15(21(14)2)17(25)23(4)18(26)22(16)3/h5-10H,1-4H3,(H,19,24)/b9-8+
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 39n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006713
PNG
(1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
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 44n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006711
PNG
(8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-dipropyl-3,...)
Show SMILES CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C21H26N4O4/c1-5-11-24-19-18(20(26)25(12-6-2)21(24)27)22-17(23-19)10-8-14-7-9-15(28-3)16(13-14)29-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,23)
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 49n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047168
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3cc(F)cc(F)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H22F2N4O2/c1-4-8-25-18-17(19(27)26(9-5-2)20(25)28)24(3)16(23-18)7-6-13-10-14(21)12-15(22)11-13/h6-7,10-12H,4-5,8-9H2,1-3H3/b7-6+
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 53n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 54n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006713
PNG
(1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
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 55n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047193
PNG
(7-Methyl-8-[2-(3-nitro-phenyl)-vinyl]-1,3-dipropyl...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23N5O4/c1-4-11-23-18-17(19(26)24(12-5-2)20(23)27)22(3)16(21-18)10-9-14-7-6-8-15(13-14)25(28)29/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
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 56n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047201
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3,7-trimethyl-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,17H2,1-3H3/b8-7+
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 57n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047179
PNG
(8-[2-(3-Chloro-phenyl)-vinyl]-7-methyl-1,3-dipropy...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
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 61n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047181
PNG
(1,3-Dipropyl-8-[2-(2,3,4-trimethoxy-phenyl)-vinyl]...)
Show SMILES CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C22H28N4O5/c1-6-12-25-20-17(21(27)26(13-7-2)22(25)28)23-16(24-20)11-9-14-8-10-15(29-3)19(31-5)18(14)30-4/h8-11H,6-7,12-13H2,1-5H3,(H,23,24)
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 64n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047185
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-1,3,7-trimethyl-...)
Show SMILES Cn1c(\C=C\c2cc(F)cc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H14F2N4O2/c1-20-12(5-4-9-6-10(17)8-11(18)7-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b5-4+
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 65n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047211
PNG
(Acetic acid 2,6-dimethoxy-4-[2-(1,3,7-trimethyl-2,...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC(C)=O
Show InChI InChI=1S/C20H22N4O6/c1-11(25)30-17-13(28-5)9-12(10-14(17)29-6)7-8-15-21-18-16(22(15)2)19(26)24(4)20(27)23(18)3/h7-10H,1-6H3/b8-7+
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 68n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047171
PNG
(7-Methyl-1,3-dipropyl-8-[(E)-2-(2,3,4-trimethoxy-p...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C23H30N4O5/c1-7-13-26-21-18(22(28)27(14-8-2)23(26)29)25(3)17(24-21)12-10-15-9-11-16(30-4)20(32-6)19(15)31-5/h9-12H,7-8,13-14H2,1-6H3/b12-10+
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 69n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006711
PNG
(8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-dipropyl-3,...)
Show SMILES CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C21H26N4O4/c1-5-11-24-19-18(20(26)25(12-6-2)21(24)27)22-17(23-19)10-8-14-7-9-15(28-3)16(13-14)29-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,23)
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 71n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50230720
PNG
(CHEMBL27318)
Show SMILES COc1cc(OC)cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H20N4O4/c1-20-14(7-6-11-8-12(25-4)10-13(9-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b7-6+
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 75n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047195
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-1,3-dipropyl-3,7-dih...)
Show SMILES CCCn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H21FN4O2/c1-3-10-23-17-16(18(25)24(11-4-2)19(23)26)21-15(22-17)9-8-13-6-5-7-14(20)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)
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 78n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047184
PNG
(1,3-Diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxy-ph...)
Show SMILES CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(3)16(22-19)10-9-13-11-14(28-4)18(30-6)15(12-13)29-5/h9-12H,7-8H2,1-6H3/b10-9+
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 81n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047172
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-1,3,7-trimethyl-3,7-...)
Show SMILES Cn1c(\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15FN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 83n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006713
PNG
(1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
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 85n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at A2 adenosine receptor in rat brain

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047182
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H18N4O3/c1-19-13(9-8-11-6-5-7-12(10-11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b9-8+
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 85n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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 94n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047181
PNG
(1,3-Dipropyl-8-[2-(2,3,4-trimethoxy-phenyl)-vinyl]...)
Show SMILES CCCn1c2nc(C=Cc3ccc(OC)c(OC)c3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C22H28N4O5/c1-6-12-25-20-17(21(27)26(13-7-2)22(25)28)23-16(24-20)11-9-14-8-10-15(29-3)19(31-5)18(14)30-4/h8-11H,6-7,12-13H2,1-5H3,(H,23,24)
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 97n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047206
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-7-methyl-1,3-dipropyl...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(N)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H25N5O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h6-10,13H,4-5,11-12,21H2,1-3H3/b10-9+
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 113n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047205
PNG
(8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...)
Show SMILES COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8|
Show InChI InChI=1S/C17H18N4O4/c1-20-15-14(16(22)21(2)17(20)23)18-13(19-15)6-5-10-7-11(24-3)9-12(8-10)25-4/h5-9H,1-4H3,(H,18,19)
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 120n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006709
PNG
(1,3-Diallyl-7-methyl-8-[2-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(\C=C\c2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3n2C)cc(OC)c1OC
Show InChI InChI=1S/C23H26N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h7-10,13-14H,1-2,11-12H2,3-6H3/b10-9+
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 131n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006705
PNG
(1,3,7-Trimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vin...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC
Show InChI InChI=1S/C19H22N4O5/c1-21-14(20-17-15(21)18(24)23(3)19(25)22(17)2)8-7-11-9-12(26-4)16(28-6)13(10-11)27-5/h7-10H,1-6H3/b8-7+
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 131n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047157
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+
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 134n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047210
PNG
(8-[2-(4-Benzyloxy-3,5-dimethoxy-phenyl)-vinyl]-1,3...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCc1ccccc1
Show InChI InChI=1S/C25H26N4O5/c1-27-20(26-23-21(27)24(30)29(3)25(31)28(23)2)12-11-17-13-18(32-4)22(19(14-17)33-5)34-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3/b12-11+
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 139n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50037426
PNG
(CHEMBL25976 | N-{3-[(E)-2-(1,3,7-Trimethyl-2,6-dio...)
Show SMILES Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H21N5O5/c1-23-14(22-18-17(23)19(29)25(3)20(30)24(18)2)8-7-12-5-4-6-13(11-12)21-15(26)9-10-16(27)28/h4-8,11H,9-10H2,1-3H3,(H,21,26)(H,27,28)/b8-7+
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 143n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047204
PNG
(1,3-Dipropyl-8-[2-(2,4,5-trimethoxy-phenyl)-vinyl]...)
Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C22H28N4O5/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)23-18(24-20)9-8-14-12-16(30-4)17(31-5)13-15(14)29-3/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)
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 143n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047207
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-1,3-dipropyl-3,7...)
Show SMILES CCCn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H20F2N4O2/c1-3-7-24-17-16(18(26)25(8-4-2)19(24)27)22-15(23-17)6-5-12-9-13(20)11-14(21)10-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)
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 146n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047195
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-1,3-dipropyl-3,7-dih...)
Show SMILES CCCn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H21FN4O2/c1-3-10-23-17-16(18(25)24(11-4-2)19(23)26)21-15(22-17)9-8-13-6-5-7-14(20)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)
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 153n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047154
PNG
(8-[2-(3-Chloro-phenyl)-vinyl]-1,3-dipropyl-3,7-dih...)
Show SMILES CCCn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H21ClN4O2/c1-3-10-23-17-16(18(25)24(11-4-2)19(23)26)21-15(22-17)9-8-13-6-5-7-14(20)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)
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 167n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047163
PNG
(8-{2-[4-(4-Amino-butoxy)-3,5-dimethoxy-phenyl]-vin...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCN
Show InChI InChI=1S/C22H29N5O5/c1-25-17(24-20-18(25)21(28)27(3)22(29)26(20)2)9-8-14-12-15(30-4)19(16(13-14)31-5)32-11-7-6-10-23/h8-9,12-13H,6-7,10-11,23H2,1-5H3/b9-8+
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 173n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047161
PNG
(1,3,7-Trimethyl-8-[2-(3-nitro-phenyl)-vinyl]-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15N5O4/c1-18-12(8-7-10-5-4-6-11(9-10)21(24)25)17-14-13(18)15(22)20(3)16(23)19(14)2/h4-9H,1-3H3/b8-7+
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 195n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047166
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+
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 197n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047190
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3-dimethyl-3,7-dihy...)
Show SMILES Cn1c2nc(C=Cc3cccc(N)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H15N5O2/c1-19-13-12(14(21)20(2)15(19)22)17-11(18-13)7-6-9-4-3-5-10(16)8-9/h3-8H,16H2,1-2H3,(H,17,18)
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 202n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047208
PNG
(1,3,7-Trimethyl-8-[2-(2,3,4-trimethoxy-phenyl)-vin...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c(OC)c1OC
Show InChI InChI=1S/C19H22N4O5/c1-21-13(20-17-14(21)18(24)23(3)19(25)22(17)2)10-8-11-7-9-12(26-4)16(28-6)15(11)27-5/h7-10H,1-6H3/b10-8+
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 206n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047162
PNG
(8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dipropyl-3,...)
Show SMILES CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C21H26N4O4/c1-5-9-24-19-18(20(26)25(10-6-2)21(24)27)22-17(23-19)8-7-14-11-15(28-3)13-16(12-14)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,23)
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 210n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50230719
PNG
(CHEMBL280796)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CNC(C)=O
Show InChI InChI=1S/C24H29N5O6/c1-15(30)25-11-7-8-12-35-21-17(33-5)13-16(14-18(21)34-6)9-10-19-26-22-20(27(19)2)23(31)29(4)24(32)28(22)3/h7-10,13-14H,11-12H2,1-6H3,(H,25,30)/b8-7+,10-9+
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 216n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047154
PNG
(8-[2-(3-Chloro-phenyl)-vinyl]-1,3-dipropyl-3,7-dih...)
Show SMILES CCCn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H21ClN4O2/c1-3-10-23-17-16(18(25)24(11-4-2)19(23)26)21-15(22-17)9-8-13-6-5-7-14(20)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)
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 216n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047209
PNG
(8-{2-[4-(4-Amino-but-2-enyloxy)-3,5-dimethoxy-phen...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CN
Show InChI InChI=1S/C22H27N5O5/c1-25-17(24-20-18(25)21(28)27(3)22(29)26(20)2)9-8-14-12-15(30-4)19(16(13-14)31-5)32-11-7-6-10-23/h6-9,12-13H,10-11,23H2,1-5H3/b7-6+,9-8+
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 228n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047170
PNG
((4-{2,6-Dimethoxy-4-[2-(1,3,7-trimethyl-2,6-dioxo-...)
Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C |w:5.4|
Show InChI InChI=1S/C27H37N5O7/c1-27(2,3)39-25(34)28-13-9-10-14-38-22-18(36-7)15-17(16-19(22)37-8)11-12-20-29-23-21(30(20)4)24(33)32(6)26(35)31(23)5/h11-12,15-16H,9-10,13-14H2,1-8H3,(H,28,34)
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 265n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047191
PNG
(8-[2-(2-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1ccccc1\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C17H18N4O3/c1-19-13(10-9-11-7-5-6-8-12(11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b10-9+
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 267n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047199
PNG
(1,3-Diethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-...)
Show SMILES CCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O |w:7.7|
Show InChI InChI=1S/C20H24N4O5/c1-6-23-18-16(19(25)24(7-2)20(23)26)21-15(22-18)9-8-12-10-13(27-3)17(29-5)14(11-12)28-4/h8-11H,6-7H2,1-5H3,(H,21,22)
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 269n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047193
PNG
(7-Methyl-8-[2-(3-nitro-phenyl)-vinyl]-1,3-dipropyl...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23N5O4/c1-4-11-23-18-17(19(26)24(12-5-2)20(23)27)22(3)16(21-18)10-9-14-7-6-8-15(13-14)25(28)29/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
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 272n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047190
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3-dimethyl-3,7-dihy...)
Show SMILES Cn1c2nc(C=Cc3cccc(N)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H15N5O2/c1-19-13-12(14(21)20(2)15(19)22)17-11(18-13)7-6-9-4-3-5-10(16)8-9/h3-8H,16H2,1-2H3,(H,17,18)
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 288n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50041598
PNG
(1,3-Dimethyl-8-((E)-styryl)-3,7-dihydro-purine-2,6...)
Show SMILES Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H14N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
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 291n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047160
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-7-methyl-1,3-dipropy...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(F)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23FN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
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 301n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047178
PNG
(8-[2-(3-Hydroxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES Cn1c2nc(C=Cc3cccc(O)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H14N4O3/c1-18-13-12(14(21)19(2)15(18)22)16-11(17-13)7-6-9-4-3-5-10(20)8-9/h3-8,20H,1-2H3,(H,16,17)
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 303n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047204
PNG
(1,3-Dipropyl-8-[2-(2,4,5-trimethoxy-phenyl)-vinyl]...)
Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C22H28N4O5/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)23-18(24-20)9-8-14-12-16(30-4)17(31-5)13-15(14)29-3/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)
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 323n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047174
PNG
(7-Methyl-1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxy-p...)
Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(3)19(24-21)10-9-15-13-17(31-5)18(32-6)14-16(15)30-4/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+
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 327n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047173
PNG
(8-[2-(4-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H18N4O3/c1-19-13(10-7-11-5-8-12(24-4)9-6-11)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b10-7+
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 327n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047180
PNG
(1,3-Dimethyl-8-[2-(3-trifluoromethyl-phenyl)-vinyl...)
Show SMILES Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C16H13F3N4O2/c1-22-13-12(14(24)23(2)15(22)25)20-11(21-13)7-6-9-4-3-5-10(8-9)16(17,18)19/h3-8H,1-2H3,(H,20,21)
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 343n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047207
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-1,3-dipropyl-3,7...)
Show SMILES CCCn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H20F2N4O2/c1-3-7-24-17-16(18(26)25(8-4-2)19(24)27)22-15(23-17)6-5-12-9-13(20)11-14(21)10-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)
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 346n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50230715
PNG
(CHEMBL282206)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CNC(=O)OC(C)(C)C
Show InChI InChI=1S/C27H35N5O7/c1-27(2,3)39-25(34)28-13-9-10-14-38-22-18(36-7)15-17(16-19(22)37-8)11-12-20-29-23-21(30(20)4)24(33)32(6)26(35)31(23)5/h9-12,15-16H,13-14H2,1-8H3,(H,28,34)/b10-9+,12-11+
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 353n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006716
PNG
(1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...)
Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
Show InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)
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 360n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047164
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-1,3-dimethyl-3,7...)
Show SMILES Cn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H12F2N4O2/c1-20-13-12(14(22)21(2)15(20)23)18-11(19-13)4-3-8-5-9(16)7-10(17)6-8/h3-7H,1-2H3,(H,18,19)
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 366n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047202
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:7.6|
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)8-7-10-5-4-6-11(9-10)23-3/h4-9H,1-3H3,(H,17,18)
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 378n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047171
PNG
(7-Methyl-1,3-dipropyl-8-[(E)-2-(2,3,4-trimethoxy-p...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C23H30N4O5/c1-7-13-26-21-18(22(28)27(14-8-2)23(26)29)25(3)17(24-21)12-10-15-9-11-16(30-4)20(32-6)19(15)31-5/h9-12H,7-8,13-14H2,1-6H3/b12-10+
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 379n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047168
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3cc(F)cc(F)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H22F2N4O2/c1-4-8-25-18-17(19(27)26(9-5-2)20(25)28)24(3)16(23-18)7-6-13-10-14(21)12-15(22)11-13/h6-7,10-12H,4-5,8-9H2,1-3H3/b7-6+
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 382n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047186
PNG
(1,3-Dimethyl-8-[2-(3-nitro-phenyl)-vinyl]-3,7-dihy...)
Show SMILES Cn1c2nc(C=Cc3cccc(c3)[N+]([O-])=O)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H13N5O4/c1-18-13-12(14(21)19(2)15(18)22)16-11(17-13)7-6-9-4-3-5-10(8-9)20(23)24/h3-8H,1-2H3,(H,16,17)
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 438n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047155
PNG
(8-[2-(4-Hydroxy-3,5-dimethoxy-phenyl)-vinyl]-1,3,7...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1O
Show InChI InChI=1S/C18H20N4O5/c1-20-13(19-16-14(20)17(24)22(3)18(25)21(16)2)7-6-10-8-11(26-4)15(23)12(9-10)27-5/h6-9,23H,1-5H3/b7-6+
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 450n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047192
PNG
(8-[2-(4-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:6.5|
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)9-6-10-4-7-11(23-3)8-5-10/h4-9H,1-3H3,(H,17,18)
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 472n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047153
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-1,3-dimethyl-3,7-dih...)
Show SMILES Cn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H13FN4O2/c1-19-13-12(14(21)20(2)15(19)22)17-11(18-13)7-6-9-4-3-5-10(16)8-9/h3-8H,1-2H3,(H,17,18)
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 516n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047156
PNG
(1,3-Dimethyl-7-prop-2-ynyl-8-[2-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CC#C)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O5/c1-7-10-25-16(22-19-17(25)20(26)24(3)21(27)23(19)2)9-8-13-11-14(28-4)18(30-6)15(12-13)29-5/h1,8-9,11-12H,10H2,2-6H3/b9-8+
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 525n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 577n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047165
PNG
(8-[2-(2,3-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...)
Show SMILES COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1OC |w:7.6|
Show InChI InChI=1S/C17H18N4O4/c1-20-15-13(16(22)21(2)17(20)23)18-12(19-15)9-8-10-6-5-7-11(24-3)14(10)25-4/h5-9H,1-4H3,(H,18,19)
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 600n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047162
PNG
(8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dipropyl-3,...)
Show SMILES CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C21H26N4O4/c1-5-9-24-19-18(20(26)25(10-6-2)21(24)27)22-17(23-19)8-7-14-11-15(28-3)13-16(12-14)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,23)
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 632n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047167
PNG
(8-[2-(2-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:8.8|
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)9-8-10-6-4-5-7-11(10)23-3/h4-9H,1-3H3,(H,17,18)
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 645n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50041598
PNG
(1,3-Dimethyl-8-((E)-styryl)-3,7-dihydro-purine-2,6...)
Show SMILES Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H14N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
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 654n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047174
PNG
(7-Methyl-1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxy-p...)
Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(3)19(24-21)10-9-15-13-17(31-5)18(32-6)14-16(15)30-4/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+
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 689n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047178
PNG
(8-[2-(3-Hydroxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES Cn1c2nc(C=Cc3cccc(O)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H14N4O3/c1-18-13-12(14(21)19(2)15(18)22)16-11(17-13)7-6-9-4-3-5-10(20)8-9/h3-8,20H,1-2H3,(H,16,17)
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 702n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047158
PNG
(8-[2-(2,3-Dimethoxy-phenyl)-vinyl]-1,3,7-trimethyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-13(10-9-11-7-6-8-12(25-4)15(11)26-5)19-16-14(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b10-9+
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 716n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047187
PNG
(8-[2-(3-(N,N'-di-t-boc)Amino-phenyl)-vinyl]-1,3,7-...)
Show SMILES Cn1c(\C=C\c2cccc(c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C26H33N5O6/c1-25(2,3)36-23(34)31(24(35)37-26(4,5)6)17-12-10-11-16(15-17)13-14-18-27-20-19(28(18)7)21(32)30(9)22(33)29(20)8/h10-15H,1-9H3/b14-13+
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 740n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047194
PNG
(CHEMBL27883 | {3-[2-(1,3,7-Trimethyl-2,6-dioxo-2,3...)
Show SMILES Cn1c(C=Cc2cccc(NC(=O)OC(C)(C)C)c2)nc2n(C)c(=O)n(C)c(=O)c12 |w:4.4|
Show InChI InChI=1S/C21H25N5O4/c1-21(2,3)30-19(28)22-14-9-7-8-13(12-14)10-11-15-23-17-16(24(15)4)18(27)26(6)20(29)25(17)5/h7-12H,1-6H3,(H,22,28)
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 784n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047199
PNG
(1,3-Diethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-...)
Show SMILES CCn1c2nc(C=Cc3cc(OC)c(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O |w:7.7|
Show InChI InChI=1S/C20H24N4O5/c1-6-23-18-16(19(25)24(7-2)20(23)26)21-15(22-18)9-8-12-10-13(27-3)17(29-5)14(11-12)28-4/h8-11H,6-7H2,1-5H3,(H,21,22)
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 852n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047192
PNG
(8-[2-(4-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:6.5|
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)9-6-10-4-7-11(23-3)8-5-10/h4-9H,1-3H3,(H,17,18)
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 858n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047179
PNG
(8-[2-(3-Chloro-phenyl)-vinyl]-7-methyl-1,3-dipropy...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+
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 874n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047180
PNG
(1,3-Dimethyl-8-[2-(3-trifluoromethyl-phenyl)-vinyl...)
Show SMILES Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C16H13F3N4O2/c1-22-13-12(14(24)23(2)15(22)25)20-11(21-13)7-6-9-4-3-5-10(8-9)16(17,18)19/h3-8H,1-2H3,(H,20,21)
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 881n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047175
PNG
(7-Ethyl-1,3-dimethyl-8-[2-(3,4,5-trimethoxy-phenyl...)
Show SMILES CCn1c(\C=C\c2cc(OC)c(OC)c(OC)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H24N4O5/c1-7-24-15(21-18-16(24)19(25)23(3)20(26)22(18)2)9-8-12-10-13(27-4)17(29-6)14(11-12)28-5/h8-11H,7H2,1-6H3/b9-8+
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 882n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047186
PNG
(1,3-Dimethyl-8-[2-(3-nitro-phenyl)-vinyl]-3,7-dihy...)
Show SMILES Cn1c2nc(C=Cc3cccc(c3)[N+]([O-])=O)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H13N5O4/c1-18-13-12(14(21)19(2)15(18)22)16-11(17-13)7-6-9-4-3-5-10(8-9)20(23)24/h3-8H,1-2H3,(H,16,17)
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 1.06E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047189
PNG
(8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...)
Show SMILES COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC |w:6.5|
Show InChI InChI=1S/C17H18N4O4/c1-20-15-14(16(22)21(2)17(20)23)18-13(19-15)8-6-10-5-7-11(24-3)12(9-10)25-4/h5-9H,1-4H3,(H,18,19)
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 1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047165
PNG
(8-[2-(2,3-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...)
Show SMILES COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1OC |w:7.6|
Show InChI InChI=1S/C17H18N4O4/c1-20-15-13(16(22)21(2)17(20)23)18-12(19-15)9-8-10-6-5-7-11(24-3)14(10)25-4/h5-9H,1-4H3,(H,18,19)
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 1.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50230717
PNG
(CHEMBL280584)
Show SMILES COc1ccc(\C=C\c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c(OC)c1OC
Show InChI InChI=1S/C18H20N4O5/c1-21-16-13(17(23)22(2)18(21)24)19-12(20-16)9-7-10-6-8-11(25-3)15(27-5)14(10)26-4/h6-9H,1-5H3,(H,19,20)/b9-7+
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 1.61E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047201
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3,7-trimethyl-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,17H2,1-3H3/b8-7+
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 1.69E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047167
PNG
(8-[2-(2-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:8.8|
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)9-8-10-6-4-5-7-11(10)23-3/h4-9H,1-3H3,(H,17,18)
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 1.73E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047212
PNG
(8-(7-Methoxy-benzofuran-2-yl)-1,3-dimethyl-3,7-dih...)
Show SMILES COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H14N4O4/c1-19-14-11(15(21)20(2)16(19)22)17-13(18-14)10-7-8-5-4-6-9(23-3)12(8)24-10/h4-7H,1-3H3,(H,17,18)
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 1.77E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047202
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1cccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:7.6|
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)8-7-10-5-4-6-11(9-10)23-3/h4-9H,1-3H3,(H,17,18)
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 1.83E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006709
PNG
(1,3-Diallyl-7-methyl-8-[2-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(\C=C\c2nc3n(CC=C)c(=O)n(CC=C)c(=O)c3n2C)cc(OC)c1OC
Show InChI InChI=1S/C23H26N4O5/c1-7-11-26-21-19(22(28)27(12-8-2)23(26)29)25(3)18(24-21)10-9-15-13-16(30-4)20(32-6)17(14-15)31-5/h7-10,13-14H,1-2,11-12H2,3-6H3/b10-9+
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>1.93E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047176
PNG
(8-(1-Fluoro-2-phenyl-vinyl)-1,3-dimethyl-3,7-dihyd...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(F)=Cc1ccccc1 |w:15.17|
Show InChI InChI=1S/C15H13FN4O2/c1-19-13-11(14(21)20(2)15(19)22)17-12(18-13)10(16)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
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 2.11E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047161
PNG
(1,3,7-Trimethyl-8-[2-(3-nitro-phenyl)-vinyl]-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15N5O4/c1-18-12(8-7-10-5-4-6-11(9-10)21(24)25)17-14-13(18)15(22)20(3)16(23)19(14)2/h4-9H,1-3H3/b8-7+
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 2.14E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047176
PNG
(8-(1-Fluoro-2-phenyl-vinyl)-1,3-dimethyl-3,7-dihyd...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(F)=Cc1ccccc1 |w:15.17|
Show InChI InChI=1S/C15H13FN4O2/c1-19-13-11(14(21)20(2)15(19)22)17-12(18-13)10(16)8-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
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 2.19E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006716
PNG
(1,3-Dimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]...)
Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc(OC)c1OC |w:5.4|
Show InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)
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>2.28E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047164
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-1,3-dimethyl-3,7...)
Show SMILES Cn1c2nc(C=Cc3cc(F)cc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H12F2N4O2/c1-20-13-12(14(22)21(2)15(20)23)18-11(19-13)4-3-8-5-9(16)7-10(17)6-8/h3-7H,1-2H3,(H,18,19)
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 2.33E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047197
PNG
(8-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)24(3)18(23-20)9-8-15-12-16(29-4)14-17(13-15)30-5/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+
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 2.63E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047153
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-1,3-dimethyl-3,7-dih...)
Show SMILES Cn1c2nc(C=Cc3cccc(F)c3)[nH]c2c(=O)n(C)c1=O |w:6.6|
Show InChI InChI=1S/C15H13FN4O2/c1-19-13-12(14(21)20(2)15(19)22)17-11(18-13)7-6-9-4-3-5-10(16)8-9/h3-8H,1-2H3,(H,17,18)
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 2.72E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047184
PNG
(1,3-Diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxy-ph...)
Show SMILES CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C21H26N4O5/c1-7-24-19-17(20(26)25(8-2)21(24)27)23(3)16(22-19)10-9-13-11-14(28-4)18(30-6)15(12-13)29-5/h9-12H,7-8H2,1-6H3/b10-9+
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 2.79E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047203
PNG
(8-[2-(4-Dimethylamino-phenyl)-vinyl]-1,3-dimethyl-...)
Show SMILES CN(C)c1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:7.6|
Show InChI InChI=1S/C17H19N5O2/c1-20(2)12-8-5-11(6-9-12)7-10-13-18-14-15(19-13)21(3)17(24)22(4)16(14)23/h5-10H,1-4H3,(H,18,19)
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 3.03E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047205
PNG
(8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...)
Show SMILES COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8|
Show InChI InChI=1S/C17H18N4O4/c1-20-15-14(16(22)21(2)17(20)23)18-13(19-15)6-5-10-7-11(24-3)9-12(8-10)25-4/h5-9H,1-4H3,(H,18,19)
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 3.04E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047157
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+
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 3.33E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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 3.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047212
PNG
(8-(7-Methoxy-benzofuran-2-yl)-1,3-dimethyl-3,7-dih...)
Show SMILES COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H14N4O4/c1-19-14-11(15(21)20(2)16(19)22)17-13(18-14)10-7-8-5-4-6-9(23-3)12(8)24-10/h4-7H,1-3H3,(H,17,18)
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 3.90E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047156
PNG
(1,3-Dimethyl-7-prop-2-ynyl-8-[2-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2CC#C)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O5/c1-7-10-25-16(22-19-17(25)20(26)24(3)21(27)23(19)2)9-8-13-11-14(28-4)18(30-6)15(12-13)29-5/h1,8-9,11-12H,10H2,2-6H3/b9-8+
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 4.04E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047210
PNG
(8-[2-(4-Benzyloxy-3,5-dimethoxy-phenyl)-vinyl]-1,3...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCc1ccccc1
Show InChI InChI=1S/C25H26N4O5/c1-27-20(26-23-21(27)24(30)29(3)25(31)28(23)2)12-11-17-13-18(32-4)22(19(14-17)33-5)34-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3/b12-11+
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 4.12E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50230716
PNG
(CHEMBL25810)
Show SMILES COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C17H16N4O4/c1-19-12-15(20(2)17(23)21(3)16(12)22)18-14(19)11-8-9-6-5-7-10(24-4)13(9)25-11/h5-8H,1-4H3
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 4.74E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047191
PNG
(8-[2-(2-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1ccccc1\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C17H18N4O3/c1-19-13(10-9-11-7-5-6-8-12(11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b10-9+
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 4.76E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047189
PNG
(8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...)
Show SMILES COc1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC |w:6.5|
Show InChI InChI=1S/C17H18N4O4/c1-20-15-14(16(22)21(2)17(20)23)18-13(19-15)8-6-10-5-7-11(24-3)12(9-10)25-4/h5-9H,1-4H3,(H,18,19)
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 5.34E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047158
PNG
(8-[2-(2,3-Dimethoxy-phenyl)-vinyl]-1,3,7-trimethyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-13(10-9-11-7-6-8-12(25-4)15(11)26-5)19-16-14(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b10-9+
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 5.39E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047182
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H18N4O3/c1-19-13(9-8-11-6-5-7-12(10-11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b9-8+
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 5.43E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047163
PNG
(8-{2-[4-(4-Amino-butoxy)-3,5-dimethoxy-phenyl]-vin...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCN
Show InChI InChI=1S/C22H29N5O5/c1-25-17(24-20-18(25)21(28)27(3)22(29)26(20)2)9-8-14-12-15(30-4)19(16(13-14)31-5)32-11-7-6-10-23/h8-9,12-13H,6-7,10-11,23H2,1-5H3/b9-8+
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 6.17E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047209
PNG
(8-{2-[4-(4-Amino-but-2-enyloxy)-3,5-dimethoxy-phen...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC\C=C\CN
Show InChI InChI=1S/C22H27N5O5/c1-25-17(24-20-18(25)21(28)27(3)22(29)26(20)2)9-8-14-12-15(30-4)19(16(13-14)31-5)32-11-7-6-10-23/h6-9,12-13H,10-11,23H2,1-5H3/b7-6+,9-8+
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 6.28E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047175
PNG
(7-Ethyl-1,3-dimethyl-8-[2-(3,4,5-trimethoxy-phenyl...)
Show SMILES CCn1c(\C=C\c2cc(OC)c(OC)c(OC)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H24N4O5/c1-7-24-15(21-18-16(24)19(25)23(3)20(26)22(18)2)9-8-12-10-13(27-4)17(29-6)14(11-12)28-5/h8-11H,7H2,1-6H3/b9-8+
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 6.29E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047211
PNG
(Acetic acid 2,6-dimethoxy-4-[2-(1,3,7-trimethyl-2,...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC(C)=O
Show InChI InChI=1S/C20H22N4O6/c1-11(25)30-17-13(28-5)9-12(10-14(17)29-6)7-8-15-21-18-16(22(15)2)19(26)24(4)20(27)23(18)3/h7-10H,1-6H3/b8-7+
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 6.33E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047208
PNG
(1,3,7-Trimethyl-8-[2-(2,3,4-trimethoxy-phenyl)-vin...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c(OC)c1OC
Show InChI InChI=1S/C19H22N4O5/c1-21-13(20-17-14(21)18(24)23(3)19(25)22(17)2)10-8-11-7-9-12(26-4)16(28-6)15(11)27-5/h7-10H,1-6H3/b10-8+
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 6.92E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047155
PNG
(8-[2-(4-Hydroxy-3,5-dimethoxy-phenyl)-vinyl]-1,3,7...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1O
Show InChI InChI=1S/C18H20N4O5/c1-20-13(19-16-14(20)17(24)22(3)18(25)21(16)2)7-6-10-8-11(26-4)15(23)12(9-10)27-5/h6-9,23H,1-5H3/b7-6+
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 8.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006705
PNG
(1,3,7-Trimethyl-8-[2-(3,4,5-trimethoxy-phenyl)-vin...)
Show SMILES COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OC
Show InChI InChI=1S/C19H22N4O5/c1-21-14(20-17-15(21)18(24)23(3)19(25)22(17)2)8-7-11-9-12(26-4)16(28-6)13(10-11)27-5/h7-10H,1-6H3/b8-7+
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>9.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50230721
PNG
(CHEMBL26245)
Show SMILES CN(C)c1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C18H21N5O2/c1-20(2)13-9-6-12(7-10-13)8-11-14-19-16-15(21(14)3)17(24)23(5)18(25)22(16)4/h6-11H,1-5H3/b11-8+
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 9.27E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047183
PNG
(CHEMBL25859 | N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2...)
Show SMILES CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H19N5O3/c1-11(24)19-13-7-5-6-12(10-13)8-9-14-20-16-15(21(14)2)17(25)23(4)18(26)22(16)3/h5-10H,1-4H3,(H,19,24)/b9-8+
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 9.47E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047187
PNG
(8-[2-(3-(N,N'-di-t-boc)Amino-phenyl)-vinyl]-1,3,7-...)
Show SMILES Cn1c(\C=C\c2cccc(c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C26H33N5O6/c1-25(2,3)36-23(34)31(24(35)37-26(4,5)6)17-12-10-11-16(15-17)13-14-18-27-20-19(28(18)7)21(32)30(9)22(33)29(20)8/h10-15H,1-9H3/b14-13+
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 1.08E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047170
PNG
((4-{2,6-Dimethoxy-4-[2-(1,3,7-trimethyl-2,6-dioxo-...)
Show SMILES COc1cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C |w:5.4|
Show InChI InChI=1S/C27H37N5O7/c1-27(2,3)39-25(34)28-13-9-10-14-38-22-18(36-7)15-17(16-19(22)37-8)11-12-20-29-23-21(30(20)4)24(33)32(6)26(35)31(23)5/h11-12,15-16H,9-10,13-14H2,1-8H3,(H,28,34)
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 1.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50047203
PNG
(8-[2-(4-Dimethylamino-phenyl)-vinyl]-1,3-dimethyl-...)
Show SMILES CN(C)c1ccc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 |w:7.6|
Show InChI InChI=1S/C17H19N5O2/c1-20(2)12-8-5-11(6-9-12)7-10-13-18-14-15(19-13)21(3)17(24)22(4)16(14)23/h5-10H,1-4H3,(H,18,19)
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 1.28E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047166
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+
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 1.38E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047173
PNG
(8-[2-(4-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C17H18N4O3/c1-19-13(10-7-11-5-8-12(24-4)9-6-11)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b10-7+
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 1.42E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047185
PNG
(8-[2-(3,5-Difluoro-phenyl)-vinyl]-1,3,7-trimethyl-...)
Show SMILES Cn1c(\C=C\c2cc(F)cc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H14F2N4O2/c1-20-12(5-4-9-6-10(17)8-11(18)7-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b5-4+
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 1.48E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047172
PNG
(8-[2-(3-Fluoro-phenyl)-vinyl]-1,3,7-trimethyl-3,7-...)
Show SMILES Cn1c(\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15FN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 1.58E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50008416
PNG
(8-Cyclohexyl-1,3,7-trimethyl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
Show InChI InChI=1S/C14H20N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
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 1.71E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50230718
PNG
(CHEMBL431309)
Show SMILES Cn1c(CCc2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H19N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-6,9H,7-8,17H2,1-3H3
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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 A2 receptor in rat brain using [3H]- CGS 21680 as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047194
PNG
(CHEMBL27883 | {3-[2-(1,3,7-Trimethyl-2,6-dioxo-2,3...)
Show SMILES Cn1c(C=Cc2cccc(NC(=O)OC(C)(C)C)c2)nc2n(C)c(=O)n(C)c(=O)c12 |w:4.4|
Show InChI InChI=1S/C21H25N5O4/c1-21(2,3)30-19(28)22-14-9-7-8-13(12-14)10-11-15-23-17-16(24(15)4)18(27)26(6)20(29)25(17)5/h7-12H,1-6H3,(H,22,28)
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 2.36E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50008416
PNG
(8-Cyclohexyl-1,3,7-trimethyl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
Show InChI InChI=1S/C14H20N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
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 2.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 2.82E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50037426
PNG
(CHEMBL25976 | N-{3-[(E)-2-(1,3,7-Trimethyl-2,6-dio...)
Show SMILES Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H21N5O5/c1-23-14(22-18-17(23)19(29)25(3)20(30)24(18)2)8-7-12-5-4-6-13(11-12)21-15(26)9-10-16(27)28/h4-8,11H,9-10H2,1-3H3,(H,21,26)(H,27,28)/b8-7+
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 3.51E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand

J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%