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PubMed code 10999489

Compile data set for download or QSAR
Found 29 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))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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PubMed
 5.90n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451102
PNG
(CHEMBL2113491)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1
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 9.80n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451105
PNG
(CHEMBL2113488)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1
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 12n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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 28n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451106
PNG
(CHEMBL2113495)
Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C11H14N6O7/c1-23-15-8-5-9(14-11(13-8)17(21)22)16(3-12-5)10-7(20)6(19)4(2-18)24-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,14,15)/t4-,6-,7-,10-/m1/s1
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 36n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451103
PNG
(CHEMBL2113490)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1
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 47n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451107
PNG
(CHEMBL2113494)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H21N5O6/c22-6-10-13(23)14(24)16(27-10)20-7-17-12-9(18-8-3-1-2-4-8)5-11(21(25)26)19-15(12)20/h5,7-8,10,13-14,16,22-24H,1-4,6H2,(H,18,19)/t10-,13-,14-,16-/m1/s1
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 53n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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 79n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366652
PNG
(CHEMBL610646)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12 |r|
Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(20)5-6-17-15(12)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16?/m1/s1
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 100n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451102
PNG
(CHEMBL2113491)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1
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 110n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 120n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451105
PNG
(CHEMBL2113488)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1
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 138n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451104
PNG
(CHEMBL2113487)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H18N6O6/c24-7-10-12(25)13(26)16(29-10)22-8-19-11-14(18-6-9-4-2-1-3-5-9)20-17(23(27)28)21-15(11)22/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,18,20,21)/t10-,12-,13-,16-/m1/s1
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 163n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451108
PNG
(CHEMBL2113493)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
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 202n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50451102
PNG
(CHEMBL2113491)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1
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 208n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451101
PNG
(CHEMBL2113502)
Show SMILES Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C11H13N5O6/c12-4-1-6(16(20)21)14-10-7(4)13-3-15(10)11-9(19)8(18)5(2-17)22-11/h1,3,5,8-9,11,17-19H,2H2,(H2,12,14)/t5-,8-,9-,11-/m1/s1
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 216n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451103
PNG
(CHEMBL2113490)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1
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 222n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50451108
PNG
(CHEMBL2113493)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
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 286n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50451107
PNG
(CHEMBL2113494)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H21N5O6/c22-6-10-13(23)14(24)16(27-10)20-7-17-12-9(18-8-3-1-2-4-8)5-11(21(25)26)19-15(12)20/h5,7-8,10,13-14,16,22-24H,1-4,6H2,(H,18,19)/t10-,13-,14-,16-/m1/s1
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 340n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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 340n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451108
PNG
(CHEMBL2113493)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C10H12N6O6/c11-7-4-8(14-10(13-7)16(20)21)15(2-12-4)9-6(19)5(18)3(1-17)22-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
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 344n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50451101
PNG
(CHEMBL2113502)
Show SMILES Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C11H13N5O6/c12-4-1-6(16(20)21)14-10-7(4)13-3-15(10)11-9(19)8(18)5(2-17)22-11/h1,3,5,8-9,11,17-19H,2H2,(H2,12,14)/t5-,8-,9-,11-/m1/s1
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 437n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 580n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451101
PNG
(CHEMBL2113502)
Show SMILES Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C11H13N5O6/c12-4-1-6(16(20)21)14-10-7(4)13-3-15(10)11-9(19)8(18)5(2-17)22-11/h1,3,5,8-9,11,17-19H,2H2,(H2,12,14)/t5-,8-,9-,11-/m1/s1
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 646n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451106
PNG
(CHEMBL2113495)
Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C11H14N6O7/c1-23-15-8-5-9(14-11(13-8)17(21)22)16(3-12-5)10-7(20)6(19)4(2-18)24-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,14,15)/t4-,6-,7-,10-/m1/s1
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 1.16E+3n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50451104
PNG
(CHEMBL2113487)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H18N6O6/c24-7-10-12(25)13(26)16(29-10)22-8-19-11-14(18-6-9-4-2-1-3-5-9)20-17(23(27)28)21-15(11)22/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,18,20,21)/t10-,12-,13-,16-/m1/s1
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 1.42E+3n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50451105
PNG
(CHEMBL2113488)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1
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 1.44E+3n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50451103
PNG
(CHEMBL2113490)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1
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 3.51E+3n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50366652
PNG
(CHEMBL610646)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12 |r|
Show InChI InChI=1S/C16H22N4O4/c21-7-11-13(22)14(23)16(24-11)20-8-18-12-10(20)5-6-17-15(12)19-9-3-1-2-4-9/h5-6,8-9,11,13-14,16,21-23H,1-4,7H2,(H,17,19)/t11-,13-,14-,16?/m1/s1
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 1.01E+4n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385

Bioorg Med Chem Lett 10: 2141-4 (2000)


BindingDB Entry DOI: 10.7270/Q2XP75GW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%