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PubMed code 19839592

Compile data set for download or QSAR
Found 37 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


(Homo sapiens (Human))		BDBM50299702
PNG
(2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1
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 0.330n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299697
PNG
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299703
PNG
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1
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 0.430n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299701
PNG
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1
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 0.440n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205729
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205722
PNG
((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205710
PNG
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299700
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O6/c1-22-20(30)17-15(28)16(29)21(33-17)27-10-23-14-18(26-32-3)24-13(25-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299698
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1
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 3.40n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299699
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...)
Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O5/c1-28-23-17-14-18(22-13(21-17)8-7-11-5-3-2-4-6-11)24(10-20-14)19-16(27)15(26)12(9-25)29-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,21,22,23)/t12-,15-,16-,19-/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205722
PNG
((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1
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 3.00E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205729
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1
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 3.99E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50299703
PNG
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1
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 5.31E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50299702
PNG
(2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1
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 7.03E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50299697
PNG
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1
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 8.74E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205710
PNG
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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 9.14E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50299702
PNG
(2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1
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 1.02E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50299700
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O6/c1-22-20(30)17-15(28)16(29)21(33-17)27-10-23-14-18(26-32-3)24-13(25-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1
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 1.04E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50299703
PNG
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1
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 1.27E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205710
PNG
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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 1.63E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205729
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1
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 1.80E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205722
PNG
((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1
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 1.87E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50299697
PNG
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1
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 2.43E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50299701
PNG
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1
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 3.28E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50299701
PNG
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1
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 4.17E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50299700
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O6/c1-22-20(30)17-15(28)16(29)21(33-17)27-10-23-14-18(26-32-3)24-13(25-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1
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 5.38E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299701
PNG
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1
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n/an/an/an/a 151n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299703
PNG
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1
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n/an/an/an/a 190n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299702
PNG
(2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcar...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1
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n/an/an/an/a 240n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205722
PNG
((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1
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n/an/an/an/a 210n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205729
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1
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n/an/an/an/a 52n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299700
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H22N6O6/c1-22-20(30)17-15(28)16(29)21(33-17)27-10-23-14-18(26-32-3)24-13(25-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1
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n/an/an/an/a 112n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299697
PNG
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r|
Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1
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n/an/an/an/a 46n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299699
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...)
Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O5/c1-28-23-17-14-18(22-13(21-17)8-7-11-5-3-2-4-6-11)24(10-20-14)19-16(27)15(26)12(9-25)29-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,21,22,23)/t12-,15-,16-,19-/m1/s1
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n/an/an/an/a 320n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299704
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(4-iodobenzylamino)-9H...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(I)cc3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-2-4-9(20)5-3-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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n/an/an/an/a 363n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205710
PNG
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50299698
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1
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UniChem

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Article
PubMed
n/an/an/an/a 290n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 m...

J Med Chem 52: 7897-900 (2009)


Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%