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PubMed code 2993622

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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 1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021078
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H38N6O5/c1-4-16-35-28-26(29(39)36(17-5-2)30(35)40)32-27(33-28)22-9-13-24(14-10-22)41-20-25(38)31-15-18-34(6-3)19-21-7-11-23(37)12-8-21/h7-14,37H,4-6,15-20H2,1-3H3,(H,31,38)(H,32,33)
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 2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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 2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021085
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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 4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021086
PNG
(CHEMBL422937 | N-(8-Amino-octyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
Show InChI InChI=1S/C27H40N6O4/c1-3-17-32-25-23(26(35)33(18-4-2)27(32)36)30-24(31-25)20-11-13-21(14-12-20)37-19-22(34)29-16-10-8-6-5-7-9-15-28/h11-14H,3-10,15-19,28H2,1-2H3,(H,29,34)(H,30,31)
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 5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021077
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
Show InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
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 6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes with 1 nM [3H]-cyclohexyladenosine

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018002
PNG
(CHEMBL27081 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C23H25N5O7/c1-3-11-26-21-19(22(32)27(12-4-2)23(26)33)24-20(25-21)14-5-7-15(8-6-14)34-13-18(31)35-28-16(29)9-10-17(28)30/h5-8H,3-4,9-13H2,1-2H3,(H,24,25)
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 9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021087
PNG
(2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C22H21N5O4/c1-13-4-8-15(9-5-13)23-17(28)12-31-16-10-6-14(7-11-16)19-24-18-20(25-19)26(2)22(30)27(3)21(18)29/h4-11H,12H2,1-3H3,(H,23,28)(H,24,25)
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 20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021083
PNG
(CHEMBL265739 | N-(2-Acetylamino-ethyl)-2-[4-(2,6-d...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1
Show InChI InChI=1S/C23H30N6O5/c1-4-12-28-21-19(22(32)29(13-5-2)23(28)33)26-20(27-21)16-6-8-17(9-7-16)34-14-18(31)25-11-10-24-15(3)30/h6-9H,4-5,10-14H2,1-3H3,(H,24,30)(H,25,31)(H,26,27)
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 24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021087
PNG
(2-[4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)
Show SMILES Cc1ccc(NC(=O)COc2ccc(cc2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
Show InChI InChI=1S/C22H21N5O4/c1-13-4-8-15(9-5-13)23-17(28)12-31-16-10-6-14(7-11-16)19-24-18-20(25-19)26(2)22(30)27(3)21(18)29/h4-11H,12H2,1-3H3,(H,23,28)(H,24,25)
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 26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50018419
PNG
(CHEMBL27762 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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 30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021079
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)C)cc1
Show InChI InChI=1S/C21H27N5O4/c1-5-11-25-19-17(20(28)26(12-6-2)21(25)29)22-18(23-19)14-7-9-15(10-8-14)30-13-16(27)24(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,22,23)
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 32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021088
PNG
(CHEMBL286063 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN)cc1
Show InChI InChI=1S/C19H24N6O4/c1-3-9-24-17-15(18(27)25(10-4-2)19(24)28)21-16(22-17)12-5-7-13(8-6-12)29-11-14(26)23-20/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,22)(H,23,26)
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 32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50008405
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
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 34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021080
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-4-14-30-24-22(25(33)31(15-5-2)26(30)34)28-23(29-24)18-8-12-20(13-9-18)35-16-21(32)27-19-10-6-17(3)7-11-19/h6-13H,4-5,14-16H2,1-3H3,(H,27,32)(H,28,29)
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 36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50018002
PNG
(CHEMBL27081 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C23H25N5O7/c1-3-11-26-21-19(22(32)27(12-4-2)23(26)33)24-20(25-21)14-5-7-15(8-6-14)34-13-18(31)35-28-16(29)9-10-17(28)30/h5-8H,3-4,9-13H2,1-2H3,(H,24,25)
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 40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018419
PNG
(CHEMBL27762 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
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 42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021077
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
Show InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
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 47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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 49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82012
PNG
(8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)
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 50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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 50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021081
PNG
(5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pen...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC23)cc1
Show InChI InChI=1S/C31H42N8O6S/c1-3-15-38-28-26(29(42)39(16-4-2)31(38)44)35-27(37-28)19-9-11-20(12-10-19)45-17-24(41)33-14-13-32-23(40)8-6-5-7-22-25-21(18-46-22)34-30(43)36-25/h9-12,21-22,25H,3-8,13-18H2,1-2H3,(H,32,40)(H,33,41)(H,35,37)(H2,34,36,43)
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 54n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50008405
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
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 58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021088
PNG
(CHEMBL286063 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN)cc1
Show InChI InChI=1S/C19H24N6O4/c1-3-9-24-17-15(18(27)25(10-4-2)19(24)28)21-16(22-17)12-5-7-13(8-6-12)29-11-14(26)23-20/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,22)(H,23,26)
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 59n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021085
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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 62n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021083
PNG
(CHEMBL265739 | N-(2-Acetylamino-ethyl)-2-[4-(2,6-d...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1
Show InChI InChI=1S/C23H30N6O5/c1-4-12-28-21-19(22(32)29(13-5-2)23(28)33)26-20(27-21)16-6-8-17(9-7-16)34-14-18(31)25-11-10-24-15(3)30/h6-9H,4-5,10-14H2,1-3H3,(H,24,30)(H,25,31)(H,26,27)
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 62n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021079
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)C)cc1
Show InChI InChI=1S/C21H27N5O4/c1-5-11-25-19-17(20(28)26(12-6-2)21(25)29)22-18(23-19)14-7-9-15(10-8-14)30-13-16(27)24(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,22,23)
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 68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021082
PNG
(1,3-Dicyclohexyl-1-{2-[4-(2,6-dioxo-1,3-dipropyl-2...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C32H44N6O5/c1-3-19-36-29-27(30(40)37(20-4-2)32(36)42)34-28(35-29)22-15-17-25(18-16-22)43-21-26(39)38(24-13-9-6-10-14-24)31(41)33-23-11-7-5-8-12-23/h15-18,23-24H,3-14,19-21H2,1-2H3,(H,33,41)(H,34,35)
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 96n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM82012
PNG
(8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)
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 130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021081
PNG
(5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pen...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC2SCC3NC(=O)NC23)cc1
Show InChI InChI=1S/C31H42N8O6S/c1-3-15-38-28-26(29(42)39(16-4-2)31(38)44)35-27(37-28)19-9-11-20(12-10-19)45-17-24(41)33-14-13-32-23(40)8-6-5-7-22-25-21(18-46-22)34-30(43)36-25/h9-12,21-22,25H,3-8,13-18H2,1-2H3,(H,32,40)(H,33,41)(H,35,37)(H2,34,36,43)
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 180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in [3H]adenine-labeled guinea pig cerebral cortical slices

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021078
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H38N6O5/c1-4-16-35-28-26(29(39)36(17-5-2)30(35)40)32-27(33-28)22-9-13-24(14-10-22)41-20-25(38)31-15-18-34(6-3)19-21-7-11-23(37)12-8-21/h7-14,37H,4-6,15-20H2,1-3H3,(H,31,38)(H,32,33)
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 320n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021084
PNG
(CHEMBL285103 | [4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-...)
Show SMILES Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C15H14N4O5/c1-18-13-11(14(22)19(2)15(18)23)16-12(17-13)8-3-5-9(6-4-8)24-7-10(20)21/h3-6H,7H2,1-2H3,(H,16,17)(H,20,21)
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 430n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021086
PNG
(CHEMBL422937 | N-(8-Amino-octyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
Show InChI InChI=1S/C27H40N6O4/c1-3-17-32-25-23(26(35)33(18-4-2)27(32)36)30-24(31-25)20-11-13-21(14-12-20)37-19-22(34)29-16-10-8-6-5-7-9-15-28/h11-14H,3-10,15-19,28H2,1-2H3,(H,29,34)(H,30,31)
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 470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50021084
PNG
(CHEMBL285103 | [4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-...)
Show SMILES Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C15H14N4O5/c1-18-13-11(14(22)19(2)15(18)23)16-12(17-13)8-3-5-9(6-4-8)24-7-10(20)21/h3-6H,7H2,1-2H3,(H,16,17)(H,20,21)
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 500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021080
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C26H29N5O4/c1-4-14-30-24-22(25(33)31(15-5-2)26(30)34)28-23(29-24)18-8-12-20(13-9-18)35-16-21(32)27-19-10-6-17(3)7-11-19/h6-13H,4-5,14-16H2,1-3H3,(H,27,32)(H,28,29)
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 750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50021082
PNG
(1,3-Dicyclohexyl-1-{2-[4-(2,6-dioxo-1,3-dipropyl-2...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C32H44N6O5/c1-3-19-36-29-27(30(40)37(20-4-2)32(36)42)34-28(35-29)22-15-17-25(18-16-22)43-21-26(39)38(24-13-9-6-10-14-24)31(41)33-23-11-7-5-8-12-23/h15-18,23-24H,3-14,19-21H2,1-2H3,(H,33,41)(H,34,35)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.

J Med Chem 28: 1334-40 (1985)


BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%