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PubMed code 7966162

Compile data set for download or QSAR
Found 39 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 A3


(Rattus norvegicus)		BDBM50368919
PNG
(CHEMBL608026)
Show SMILES COc1nc2n(C)c(=O)n(C)c(=O)c2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H18N4O7/c1-15-9-6(10(21)16(2)13(15)22)17(12(14-9)23-3)11-8(20)7(19)5(4-18)24-11/h5,7-8,11,18-20H,4H2,1-3H3/t5-,7-,8-,11?/m1/s1
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 74n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50118811
PNG
(5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-...)
Show SMILES CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C19H29N5O6/c1-4-6-8-22-15-11(17(28)23(19(22)29)9-7-5-2)24(10-21-15)18-13(26)12(25)14(30-18)16(27)20-3/h10,12-14,18,25-26H,4-9H2,1-3H3,(H,20,27)/t12-,13+,14-,18+/m0/s1
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 229n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368918
PNG
(CHEMBL610956)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C20H31N5O6/c1-4-7-9-23-16-12(18(29)24(20(23)30)10-8-5-2)25(11-22-16)19-14(27)13(26)15(31-19)17(28)21-6-3/h11,13-15,19,26-27H,4-10H2,1-3H3,(H,21,28)/t13-,14+,15-,19?/m0/s1
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 602n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368911
PNG
(CHEMBL608956)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=S |r|
Show InChI InChI=1S/C18H28N4O5S/c1-3-5-7-20-15-12(16(26)21(18(20)28)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)27-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3/t11-,13-,14-,17?/m1/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368910
PNG
(CHEMBL610700)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3/t13-,15-,16-,20?/m1/s1
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 1.72E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368913
PNG
(CHEMBL608945)
Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r|
Show InChI InChI=1S/C21H26N4O6/c1-2-3-9-23-19(29)15-18(24(21(23)30)10-13-7-5-4-6-8-13)22-12-25(15)20-17(28)16(27)14(11-26)31-20/h4-8,12,14,16-17,20,26-28H,2-3,9-11H2,1H3/t14-,16-,17-,20?/m1/s1
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 2.19E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368911
PNG
(CHEMBL608956)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=S |r|
Show InChI InChI=1S/C18H28N4O5S/c1-3-5-7-20-15-12(16(26)21(18(20)28)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)27-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3/t11-,13-,14-,17?/m1/s1
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 2.25E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368909
PNG
(CHEMBL607784)
Show SMILES CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O |r|
Show InChI InChI=1S/C21H33N5O6/c1-4-6-8-10-24-17-13(19(30)25(21(24)31)11-9-7-5-2)26(12-23-17)20-15(28)14(27)16(32-20)18(29)22-3/h12,14-16,20,27-28H,4-11H2,1-3H3,(H,22,29)/t14-,15+,16-,20?/m0/s1
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 2.63E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368917
PNG
(CHEMBL610675)
Show SMILES Cn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)16(4-13-9)11-8(19)7(18)5(3-17)22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11?/m1/s1
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 2.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368914
PNG
(CHEMBL608657)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C18H27N5O6/c1-3-5-7-21-15-10(16(27)22(18(21)28)8-6-4-2)23(9-20-15)17-12(25)11(24)13(29-17)14(19)26/h9,11-13,17,24-25H,3-8H2,1-2H3,(H2,19,26)/t11-,12+,13-,17?/m0/s1
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 3.06E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368916
PNG
(CHEMBL608647)
Show SMILES CCCCn1c2ncn(C3O[C@H](OC(C)=O)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C19H28N4O7/c1-4-6-8-21-15-12(16(27)22(19(21)28)9-7-5-2)23(10-20-15)17-13(25)14(26)18(30-17)29-11(3)24/h10,13-14,17-18,25-26H,4-9H2,1-3H3/t13-,14+,17?,18+/m1/s1
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 3.23E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368916
PNG
(CHEMBL608647)
Show SMILES CCCCn1c2ncn(C3O[C@H](OC(C)=O)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C19H28N4O7/c1-4-6-8-21-15-12(16(27)22(19(21)28)9-7-5-2)23(10-20-15)17-13(25)14(26)18(30-17)29-11(3)24/h10,13-14,17-18,25-26H,4-9H2,1-3H3/t13-,14+,17?,18+/m1/s1
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 3.72E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368908
PNG
(CHEMBL610417)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C18H28N4O6/c1-3-5-7-20-15-12(16(26)21(18(20)27)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)28-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3/t11-,13-,14-,17?/m1/s1
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 4.19E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368911
PNG
(CHEMBL608956)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=S |r|
Show InChI InChI=1S/C18H28N4O5S/c1-3-5-7-20-15-12(16(26)21(18(20)28)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)27-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3/t11-,13-,14-,17?/m1/s1
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 4.25E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368910
PNG
(CHEMBL610700)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3/t13-,15-,16-,20?/m1/s1
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 4.51E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368920
PNG
(CHEMBL610095)
Show SMILES CCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCC)c1=O |r|
Show InChI InChI=1S/C20H32N4O6/c1-3-5-7-9-22-17-14(18(28)23(20(22)29)10-8-6-4-2)24(12-21-17)19-16(27)15(26)13(11-25)30-19/h12-13,15-16,19,25-27H,3-11H2,1-2H3/t13-,15-,16-,19?/m1/s1
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 4.81E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368908
PNG
(CHEMBL610417)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C18H28N4O6/c1-3-5-7-20-15-12(16(26)21(18(20)27)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)28-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3/t11-,13-,14-,17?/m1/s1
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 6.03E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368918
PNG
(CHEMBL610956)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C20H31N5O6/c1-4-7-9-23-16-12(18(29)24(20(23)30)10-8-5-2)25(11-22-16)19-14(27)13(26)15(31-19)17(28)21-6-3/h11,13-15,19,26-27H,4-10H2,1-3H3,(H,21,28)/t13-,14+,15-,19?/m0/s1
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 6.21E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368913
PNG
(CHEMBL608945)
Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r|
Show InChI InChI=1S/C21H26N4O6/c1-2-3-9-23-19(29)15-18(24(21(23)30)10-13-7-5-4-6-8-13)22-12-25(15)20-17(28)16(27)14(11-26)31-20/h4-8,12,14,16-17,20,26-28H,2-3,9-11H2,1H3/t14-,16-,17-,20?/m1/s1
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 8.67E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368920
PNG
(CHEMBL610095)
Show SMILES CCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCC)c1=O |r|
Show InChI InChI=1S/C20H32N4O6/c1-3-5-7-9-22-17-14(18(28)23(20(22)29)10-8-6-4-2)24(12-21-17)19-16(27)15(26)13(11-25)30-19/h12-13,15-16,19,25-27H,3-11H2,1-2H3/t13-,15-,16-,19?/m1/s1
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 8.79E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368915
PNG
(CHEMBL610372)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C20H31N5O6/c1-5-7-9-23-16-12(17(28)24(20(23)30)10-8-6-2)25(11-21-16)19-14(27)13(26)15(31-19)18(29)22(3)4/h11,13-15,19,26-27H,5-10H2,1-4H3/t13-,14+,15-,19?/m0/s1
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 9.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368907
PNG
(CHEMBL611863)
Show SMILES CCCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCCC)c1=O |r|
Show InChI InChI=1S/C22H36N4O6/c1-3-5-7-9-11-24-19-16(20(30)25(22(24)31)12-10-8-6-4-2)26(14-23-19)21-18(29)17(28)15(13-27)32-21/h14-15,17-18,21,27-29H,3-13H2,1-2H3/t15-,17-,18-,21?/m1/s1
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 9.75E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368912
PNG
(CHEMBL610662)
Show SMILES CCCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCCC)c1=O |r|
Show InChI InChI=1S/C23H37N5O6/c1-4-6-8-10-12-26-19-15(21(32)27(23(26)33)13-11-9-7-5-2)28(14-25-19)22-17(30)16(29)18(34-22)20(31)24-3/h14,16-18,22,29-30H,4-13H2,1-3H3,(H,24,31)/t16-,17+,18-,22?/m0/s1
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 1.03E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368909
PNG
(CHEMBL607784)
Show SMILES CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O |r|
Show InChI InChI=1S/C21H33N5O6/c1-4-6-8-10-24-17-13(19(30)25(21(24)31)11-9-7-5-2)26(12-23-17)20-15(28)14(27)16(32-20)18(29)22-3/h12,14-16,20,27-28H,4-11H2,1-3H3,(H,22,29)/t14-,15+,16-,20?/m0/s1
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 1.12E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368910
PNG
(CHEMBL610700)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3/t13-,15-,16-,20?/m1/s1
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 1.24E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368913
PNG
(CHEMBL608945)
Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r|
Show InChI InChI=1S/C21H26N4O6/c1-2-3-9-23-19(29)15-18(24(21(23)30)10-13-7-5-4-6-8-13)22-12-25(15)20-17(28)16(27)14(11-26)31-20/h4-8,12,14,16-17,20,26-28H,2-3,9-11H2,1H3/t14-,16-,17-,20?/m1/s1
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 1.29E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368914
PNG
(CHEMBL608657)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C18H27N5O6/c1-3-5-7-21-15-10(16(27)22(18(21)28)8-6-4-2)23(9-20-15)17-12(25)11(24)13(29-17)14(19)26/h9,11-13,17,24-25H,3-8H2,1-2H3,(H2,19,26)/t11-,12+,13-,17?/m0/s1
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 1.53E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368921
PNG
(CHEMBL610702)
Show SMILES CCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCC)c1=O |r|
Show InChI InChI=1S/C16H24N4O6/c1-3-5-18-13-10(14(24)19(6-4-2)16(18)25)20(8-17-13)15-12(23)11(22)9(7-21)26-15/h8-9,11-12,15,21-23H,3-7H2,1-2H3/t9-,11-,12-,15?/m1/s1
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 1.59E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368908
PNG
(CHEMBL610417)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C18H28N4O6/c1-3-5-7-20-15-12(16(26)21(18(20)27)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)28-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3/t11-,13-,14-,17?/m1/s1
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 1.95E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50368912
PNG
(CHEMBL610662)
Show SMILES CCCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCCC)c1=O |r|
Show InChI InChI=1S/C23H37N5O6/c1-4-6-8-10-12-26-19-15(21(32)27(23(26)33)13-11-9-7-5-2)28(14-25-19)22-17(30)16(29)18(34-22)20(31)24-3/h14,16-18,22,29-30H,4-13H2,1-3H3,(H,24,31)/t16-,17+,18-,22?/m0/s1
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 3.08E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50118811
PNG
(5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-...)
Show SMILES CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C19H29N5O6/c1-4-6-8-22-15-11(17(28)23(19(22)29)9-7-5-2)24(10-21-15)18-13(26)12(25)14(30-18)16(27)20-3/h10,12-14,18,25-26H,4-9H2,1-3H3,(H,20,27)/t12-,13+,14-,18+/m0/s1
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 3.73E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368918
PNG
(CHEMBL610956)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C20H31N5O6/c1-4-7-9-23-16-12(18(29)24(20(23)30)10-8-5-2)25(11-22-16)19-14(27)13(26)15(31-19)17(28)21-6-3/h11,13-15,19,26-27H,4-10H2,1-3H3,(H,21,28)/t13-,14+,15-,19?/m0/s1
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 3.81E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368907
PNG
(CHEMBL611863)
Show SMILES CCCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCCC)c1=O |r|
Show InChI InChI=1S/C22H36N4O6/c1-3-5-7-9-11-24-19-16(20(30)25(22(24)31)12-10-8-6-4-2)26(14-23-19)21-18(29)17(28)15(13-27)32-21/h14-15,17-18,21,27-29H,3-13H2,1-2H3/t15-,17-,18-,21?/m1/s1
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 4.30E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368920
PNG
(CHEMBL610095)
Show SMILES CCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCC)c1=O |r|
Show InChI InChI=1S/C20H32N4O6/c1-3-5-7-9-22-17-14(18(28)23(20(22)29)10-8-6-4-2)24(12-21-17)19-16(27)15(26)13(11-25)30-19/h12-13,15-16,19,25-27H,3-11H2,1-2H3/t13-,15-,16-,19?/m1/s1
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 4.73E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368915
PNG
(CHEMBL610372)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C20H31N5O6/c1-5-7-9-23-16-12(17(28)24(20(23)30)10-8-6-2)25(11-21-16)19-14(27)13(26)15(31-19)18(29)22(3)4/h11,13-15,19,26-27H,5-10H2,1-4H3/t13-,14+,15-,19?/m0/s1
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 5.35E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50368914
PNG
(CHEMBL608657)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C18H27N5O6/c1-3-5-7-21-15-10(16(27)22(18(21)28)8-6-4-2)23(9-20-15)17-12(25)11(24)13(29-17)14(19)26/h9,11-13,17,24-25H,3-8H2,1-2H3,(H2,19,26)/t11-,12+,13-,17?/m0/s1
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 5.49E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368921
PNG
(CHEMBL610702)
Show SMILES CCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCC)c1=O |r|
Show InChI InChI=1S/C16H24N4O6/c1-3-5-18-13-10(14(24)19(6-4-2)16(18)25)20(8-17-13)15-12(23)11(22)9(7-21)26-15/h8-9,11-12,15,21-23H,3-7H2,1-2H3/t9-,11-,12-,15?/m1/s1
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 8.12E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368917
PNG
(CHEMBL610675)
Show SMILES Cn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)16(4-13-9)11-8(19)7(18)5(3-17)22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11?/m1/s1
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 8.94E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50368915
PNG
(CHEMBL610372)
Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r|
Show InChI InChI=1S/C20H31N5O6/c1-5-7-9-23-16-12(17(28)24(20(23)30)10-8-6-2)25(11-21-16)19-14(27)13(26)15(31-19)18(29)22(3)4/h11,13-15,19,26-27H,5-10H2,1-4H3/t13-,14+,15-,19?/m0/s1
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PC cid
PC sid
UniChem

Similars
PubMed
 2.28E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA

J Med Chem 37: 4020-30 (1994)


BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%