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PubMed code 17378544

Compile data set for download or QSAR
Found 121 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))
BDBM50208801
PNG
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1
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0.75n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208801
PNG
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208801
PNG
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208817
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12
Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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6.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208817
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12
Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1
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7n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208788
PNG
((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...)
Show SMILES Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208800
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(thiophen-2-yl)ethox...)
Show SMILES Nc1nc(OCCc2cccs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-4-3-8-2-1-5-27-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-2,5,7,9,11-12,15,22-24H,3-4,6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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10.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208815
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(thiophen-3-yl)ethox...)
Show SMILES Nc1nc(OCCc2ccsc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-3-1-8-2-4-27-6-8)21(7-18-10)15-12(24)11(23)9(5-22)26-15/h2,4,6-7,9,11-12,15,22-24H,1,3,5H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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13.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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16n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208784
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(naphthalen-2-yl)eth...)
Show SMILES Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,28-30H,7-8,10H2,(H2,23,25,26)/t15-,17-,18-,21-/m1/s1
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16.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208786
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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29.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208797
PNG
(2-(3''-(4''-bromo-indolyl)ethyloxy)adenosine | CHE...)
Show SMILES Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-2-1-3-11-13(10)9(6-23-11)4-5-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)12(7-28)32-19/h1-3,6,8,12,15-16,19,23,28-30H,4-5,7H2,(H2,22,25,26)/t12-,15-,16-,19-/m1/s1
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39.7n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208804
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-indol-3-yl)ethoxy)-6-ami...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-23-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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45n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208788
PNG
((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...)
Show SMILES Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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54.2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208787
PNG
((2R,3R,4S,5R)-2-(2-(4-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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56.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208798
PNG
((2R,3R,4S,5R)-2-(2-(2-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2ccccc2F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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58.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208810
PNG
(2-phenylpropoxyadenosine | CHEMBL374151)
Show SMILES Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,25-27H,4,7-9H2,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
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66n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208799
PNG
((2R,3R,4S,5R)-2-(2-(3-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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69.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208798
PNG
((2R,3R,4S,5R)-2-(2-(2-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2ccccc2F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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77.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208786
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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92.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208800
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(thiophen-2-yl)ethox...)
Show SMILES Nc1nc(OCCc2cccs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-4-3-8-2-1-5-27-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-2,5,7,9,11-12,15,22-24H,3-4,6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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93.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208806
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-pyrrol-3-yl)ethoxy)-6-am...)
Show SMILES Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N6O5/c17-13-10-14(21-16(20-13)26-4-2-8-1-3-18-5-8)22(7-19-10)15-12(25)11(24)9(6-23)27-15/h1,3,5,7,9,11-12,15,18,23-25H,2,4,6H2,(H2,17,20,21)/t9-,11-,12-,15-/m1/s1
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95n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208815
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(thiophen-3-yl)ethox...)
Show SMILES Nc1nc(OCCc2ccsc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-3-1-8-2-4-27-6-8)21(7-18-10)15-12(24)11(23)9(5-22)26-15/h2,4,6-7,9,11-12,15,22-24H,1,3,5H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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101n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208806
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-pyrrol-3-yl)ethoxy)-6-am...)
Show SMILES Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N6O5/c17-13-10-14(21-16(20-13)26-4-2-8-1-3-18-5-8)22(7-19-10)15-12(25)11(24)9(6-23)27-15/h1,3,5,7,9,11-12,15,18,23-25H,2,4,6H2,(H2,17,20,21)/t9-,11-,12-,15-/m1/s1
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104n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208791
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-iodo-1H-indol-3-y...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21IN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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110n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208807
PNG
((2R,3S,4S,5R)-6-amino-5-ethylcarboxyamide-2-(3''-i...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
Show InChI InChI=1S/C22H25N7O5/c1-2-24-20(32)17-15(30)16(31)21(34-17)29-10-26-14-18(23)27-22(28-19(14)29)33-8-7-11-9-25-13-6-4-3-5-12(11)13/h3-6,9-10,15-17,21,25,30-31H,2,7-8H2,1H3,(H,24,32)(H2,23,27,28)/t15-,16+,17-,21+/m0/s1
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110n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208787
PNG
((2R,3R,4S,5R)-2-(2-(4-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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112n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208799
PNG
((2R,3R,4S,5R)-2-(2-(3-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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119n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208785
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-hydroxy-1H-indol-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O6/c21-17-14-18(26(8-23-14)19-16(30)15(29)13(7-27)32-19)25-20(24-17)31-4-3-9-6-22-12-2-1-10(28)5-11(9)12/h1-2,5-6,8,13,15-16,19,22,27-30H,3-4,7H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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120n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208784
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(naphthalen-2-yl)eth...)
Show SMILES Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,28-30H,7-8,10H2,(H2,23,25,26)/t15-,17-,18-,21-/m1/s1
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130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208782
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208784
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(naphthalen-2-yl)eth...)
Show SMILES Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,28-30H,7-8,10H2,(H2,23,25,26)/t15-,17-,18-,21-/m1/s1
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141n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208814
PNG
(2-(3''(7''-bromo-indolyl)ethyloxy)adenosine | CHEM...)
Show SMILES Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-11-3-1-2-10-9(6-23-13(10)11)4-5-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)12(7-28)32-19/h1-3,6,8,12,15-16,19,23,28-30H,4-5,7H2,(H2,22,25,26)/t12-,15-,16-,19-/m1/s1
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142n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208786
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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145n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208804
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-indol-3-yl)ethoxy)-6-ami...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-23-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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148n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208809
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-fluoro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21FN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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150n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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150n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208800
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(thiophen-2-yl)ethox...)
Show SMILES Nc1nc(OCCc2cccs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-4-3-8-2-1-5-27-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-2,5,7,9,11-12,15,22-24H,3-4,6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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174n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208807
PNG
((2R,3S,4S,5R)-6-amino-5-ethylcarboxyamide-2-(3''-i...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
Show InChI InChI=1S/C22H25N7O5/c1-2-24-20(32)17-15(30)16(31)21(34-17)29-10-26-14-18(23)27-22(28-19(14)29)33-8-7-11-9-25-13-6-4-3-5-12(11)13/h3-6,9-10,15-17,21,25,30-31H,2,7-8H2,1H3,(H,24,32)(H2,23,27,28)/t15-,16+,17-,21+/m0/s1
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190n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208812
PNG
(2-(2''-indolylethyloxy)adenosine | CHEMBL374461)
Show SMILES Nc1nc(OCCc2cc3ccccc3[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-22-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-11-7-10-3-1-2-4-12(10)23-11/h1-4,7,9,13,15-16,19,23,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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197n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208814
PNG
(2-(3''(7''-bromo-indolyl)ethyloxy)adenosine | CHEM...)
Show SMILES Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-11-3-1-2-10-9(6-23-13(10)11)4-5-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)12(7-28)32-19/h1-3,6,8,12,15-16,19,23,28-30H,4-5,7H2,(H2,22,25,26)/t12-,15-,16-,19-/m1/s1
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210n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208806
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-pyrrol-3-yl)ethoxy)-6-am...)
Show SMILES Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N6O5/c17-13-10-14(21-16(20-13)26-4-2-8-1-3-18-5-8)22(7-19-10)15-12(25)11(24)9(6-23)27-15/h1,3,5,7,9,11-12,15,18,23-25H,2,4,6H2,(H2,17,20,21)/t9-,11-,12-,15-/m1/s1
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218n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208788
PNG
((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...)
Show SMILES Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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221n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208804
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-indol-3-yl)ethoxy)-6-ami...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-23-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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232n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208783
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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234n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208807
PNG
((2R,3S,4S,5R)-6-amino-5-ethylcarboxyamide-2-(3''-i...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
Show InChI InChI=1S/C22H25N7O5/c1-2-24-20(32)17-15(30)16(31)21(34-17)29-10-26-14-18(23)27-22(28-19(14)29)33-8-7-11-9-25-13-6-4-3-5-12(11)13/h3-6,9-10,15-17,21,25,30-31H,2,7-8H2,1H3,(H,24,32)(H2,23,27,28)/t15-,16+,17-,21+/m0/s1
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250n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208814
PNG
(2-(3''(7''-bromo-indolyl)ethyloxy)adenosine | CHEM...)
Show SMILES Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-11-3-1-2-10-9(6-23-13(10)11)4-5-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)12(7-28)32-19/h1-3,6,8,12,15-16,19,23,28-30H,4-5,7H2,(H2,22,25,26)/t12-,15-,16-,19-/m1/s1
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252n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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253n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208797
PNG
(2-(3''-(4''-bromo-indolyl)ethyloxy)adenosine | CHE...)
Show SMILES Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-2-1-3-11-13(10)9(6-23-11)4-5-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)12(7-28)32-19/h1-3,6,8,12,15-16,19,23,28-30H,4-5,7H2,(H2,22,25,26)/t12-,15-,16-,19-/m1/s1
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260n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208815
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(thiophen-3-yl)ethox...)
Show SMILES Nc1nc(OCCc2ccsc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-3-1-8-2-4-27-6-8)21(7-18-10)15-12(24)11(23)9(5-22)26-15/h2,4,6-7,9,11-12,15,22-24H,1,3,5H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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280n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208782
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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296n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208785
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-hydroxy-1H-indol-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O6/c21-17-14-18(26(8-23-14)19-16(30)15(29)13(7-27)32-19)25-20(24-17)31-4-3-9-6-22-12-2-1-10(28)5-11(9)12/h1-2,5-6,8,13,15-16,19,22,27-30H,3-4,7H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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310n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208793
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-3-phenylbutoxy)-9H...)
Show SMILES C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C20H25N5O5/c1-11(12-5-3-2-4-6-12)7-8-29-20-23-17(21)14-18(24-20)25(10-22-14)19-16(28)15(27)13(9-26)30-19/h2-6,10-11,13,15-16,19,26-28H,7-9H2,1H3,(H2,21,23,24)/t11-,13+,15+,16+,19+/m0/s1
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312n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208799
PNG
((2R,3R,4S,5R)-2-(2-(3-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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312n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208798
PNG
((2R,3R,4S,5R)-2-(2-(2-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2ccccc2F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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331n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208791
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-iodo-1H-indol-3-y...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21IN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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350n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208792
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(4-phenylbutoxy)-9H-pur...)
Show SMILES Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H25N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,26-28H,4-5,8-10H2,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1
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352n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208783
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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358n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208789
PNG
((2R,3R,4S,5R)-2-(6-amino-2-ethoxy-9H-purin-9-yl)-5...)
Show SMILES CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C12H17N5O5/c1-2-21-12-15-9(13)6-10(16-12)17(4-14-6)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
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360n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208796
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-methoxy-1H-indol-...)
Show SMILES COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
Show InChI InChI=1S/C21H24N6O6/c1-31-11-2-3-13-12(6-11)10(7-23-13)4-5-32-21-25-18(22)15-19(26-21)27(9-24-15)20-17(30)16(29)14(8-28)33-20/h2-3,6-7,9,14,16-17,20,23,28-30H,4-5,8H2,1H3,(H2,22,25,26)/t14-,16-,17-,20-/m1/s1
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360n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208809
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-fluoro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21FN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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370n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208812
PNG
(2-(2''-indolylethyloxy)adenosine | CHEMBL374461)
Show SMILES Nc1nc(OCCc2cc3ccccc3[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-22-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-11-7-10-3-1-2-4-12(10)23-11/h1-4,7,9,13,15-16,19,23,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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373n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208782
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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390n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208793
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-3-phenylbutoxy)-9H...)
Show SMILES C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C20H25N5O5/c1-11(12-5-3-2-4-6-12)7-8-29-20-23-17(21)14-18(24-20)25(10-22-14)19-16(28)15(27)13(9-26)30-19/h2-6,10-11,13,15-16,19,26-28H,7-9H2,1H3,(H2,21,23,24)/t11-,13+,15+,16+,19+/m0/s1
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413n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208797
PNG
(2-(3''-(4''-bromo-indolyl)ethyloxy)adenosine | CHE...)
Show SMILES Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-2-1-3-11-13(10)9(6-23-11)4-5-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)12(7-28)32-19/h1-3,6,8,12,15-16,19,23,28-30H,4-5,7H2,(H2,22,25,26)/t12-,15-,16-,19-/m1/s1
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443n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208785
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-hydroxy-1H-indol-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O6/c21-17-14-18(26(8-23-14)19-16(30)15(29)13(7-27)32-19)25-20(24-17)31-4-3-9-6-22-12-2-1-10(28)5-11(9)12/h1-2,5-6,8,13,15-16,19,22,27-30H,3-4,7H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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450n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208787
PNG
((2R,3R,4S,5R)-2-(2-(4-fluorophenethoxy)-6-amino-9H...)
Show SMILES Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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467n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208809
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-fluoro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21FN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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490n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208810
PNG
(2-phenylpropoxyadenosine | CHEMBL374151)
Show SMILES Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,25-27H,4,7-9H2,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
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500n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208783
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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502n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208812
PNG
(2-(2''-indolylethyloxy)adenosine | CHEMBL374461)
Show SMILES Nc1nc(OCCc2cc3ccccc3[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-22-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-11-7-10-3-1-2-4-12(10)23-11/h1-4,7,9,13,15-16,19,23,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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513n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208792
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(4-phenylbutoxy)-9H-pur...)
Show SMILES Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H25N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,26-28H,4-5,8-10H2,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1
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519n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208789
PNG
((2R,3R,4S,5R)-2-(6-amino-2-ethoxy-9H-purin-9-yl)-5...)
Show SMILES CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C12H17N5O5/c1-2-21-12-15-9(13)6-10(16-12)17(4-14-6)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
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568n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208816
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethoxy)-9H...)
Show SMILES Nc1nc(OCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H27N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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578n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208803
PNG
(2-(3''-(5''-methoxy-2''-methylindolyl)ethyloxy)ade...)
Show SMILES COc1ccc2[nH]c(C)c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
Show InChI InChI=1S/C22H26N6O6/c1-10-12(13-7-11(32-2)3-4-14(13)25-10)5-6-33-22-26-19(23)16-20(27-22)28(9-24-16)21-18(31)17(30)15(8-29)34-21/h3-4,7,9,15,17-18,21,25,29-31H,5-6,8H2,1-2H3,(H2,23,26,27)/t15-,17-,18-,21-/m1/s1
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579n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208816
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethoxy)-9H...)
Show SMILES Nc1nc(OCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H27N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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579n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208803
PNG
(2-(3''-(5''-methoxy-2''-methylindolyl)ethyloxy)ade...)
Show SMILES COc1ccc2[nH]c(C)c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
Show InChI InChI=1S/C22H26N6O6/c1-10-12(13-7-11(32-2)3-4-14(13)25-10)5-6-33-22-26-19(23)16-20(27-22)28(9-24-16)21-18(31)17(30)15(8-29)34-21/h3-4,7,9,15,17-18,21,25,29-31H,5-6,8H2,1-2H3,(H2,23,26,27)/t15-,17-,18-,21-/m1/s1
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599n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208811
PNG
(2-(2''-(1''-(p-toluenesulfonyl)indolyl)ethyloxy)ad...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc2ccccc12
Show InChI InChI=1S/C27H28N6O7S/c1-15-6-8-18(9-7-15)41(37,38)33-17(12-16-4-2-3-5-19(16)33)10-11-39-27-30-24(28)21-25(31-27)32(14-29-21)26-23(36)22(35)20(13-34)40-26/h2-9,12,14,20,22-23,26,34-36H,10-11,13H2,1H3,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
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622n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208817
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12
Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1
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628n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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884n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208791
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-iodo-1H-indol-3-y...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21IN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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900n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208810
PNG
(2-phenylpropoxyadenosine | CHEMBL374151)
Show SMILES Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,25-27H,4,7-9H2,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
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960n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208813
PNG
(2-(3''-(1''-(p-toluenesulfonyl)indolyl)ethyloxy)ad...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c2ccccc12
Show InChI InChI=1S/C27H28N6O7S/c1-15-6-8-17(9-7-15)41(37,38)33-12-16(18-4-2-3-5-19(18)33)10-11-39-27-30-24(28)21-25(31-27)32(14-29-21)26-23(36)22(35)20(13-34)40-26/h2-9,12,14,20,22-23,26,34-36H,10-11,13H2,1H3,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
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1.34E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208796
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-methoxy-1H-indol-...)
Show SMILES COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
Show InChI InChI=1S/C21H24N6O6/c1-31-11-2-3-13-12(6-11)10(7-23-13)4-5-32-21-25-18(22)15-19(26-21)27(9-24-15)20-17(30)16(29)14(8-28)33-20/h2-3,6-7,9,14,16-17,20,23,28-30H,4-5,8H2,1H3,(H2,22,25,26)/t14-,16-,17-,20-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208793
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-3-phenylbutoxy)-9H...)
Show SMILES C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C20H25N5O5/c1-11(12-5-3-2-4-6-12)7-8-29-20-23-17(21)14-18(24-20)25(10-22-14)19-16(28)15(27)13(9-26)30-19/h2-6,10-11,13,15-16,19,26-28H,7-9H2,1H3,(H2,21,23,24)/t11-,13+,15+,16+,19+/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208796
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-methoxy-1H-indol-...)
Show SMILES COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
Show InChI InChI=1S/C21H24N6O6/c1-31-11-2-3-13-12(6-11)10(7-23-13)4-5-32-21-25-18(22)15-19(26-21)27(9-24-15)20-17(30)16(29)14(8-28)33-20/h2-3,6-7,9,14,16-17,20,23,28-30H,4-5,8H2,1H3,(H2,22,25,26)/t14-,16-,17-,20-/m1/s1
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1.82E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208808
PNG
(2-(3''-(benzotriazole-1''-yl)ethyloxy)adenosine | ...)
Show SMILES Nc1nc(OCCn2nnc3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N8O5/c19-15-12-16(25(8-20-12)17-14(29)13(28)11(7-27)31-17)22-18(21-15)30-6-5-26-10-4-2-1-3-9(10)23-24-26/h1-4,8,11,13-14,17,27-29H,5-7H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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1.92E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208792
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(4-phenylbutoxy)-9H-pur...)
Show SMILES Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H25N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,26-28H,4-5,8-10H2,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1
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PubMed
2.06E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208818
PNG
(2-(3''-(benzoimidazole-1''-yl)ethyloxy)adenosine |...)
Show SMILES Nc1nc(OCCn2cnc3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N7O5/c20-16-13-17(26(9-22-13)18-15(29)14(28)12(7-27)31-18)24-19(23-16)30-6-5-25-8-21-10-3-1-2-4-11(10)25/h1-4,8-9,12,14-15,18,27-29H,5-7H2,(H2,20,23,24)/t12-,14-,15-,18-/m1/s1
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2.07E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208811
PNG
(2-(2''-(1''-(p-toluenesulfonyl)indolyl)ethyloxy)ad...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc2ccccc12
Show InChI InChI=1S/C27H28N6O7S/c1-15-6-8-18(9-7-15)41(37,38)33-17(12-16-4-2-3-5-19(16)33)10-11-39-27-30-24(28)21-25(31-27)32(14-29-21)26-23(36)22(35)20(13-34)40-26/h2-9,12,14,20,22-23,26,34-36H,10-11,13H2,1H3,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
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2.57E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50208789
PNG
((2R,3R,4S,5R)-2-(6-amino-2-ethoxy-9H-purin-9-yl)-5...)
Show SMILES CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C12H17N5O5/c1-2-21-12-15-9(13)6-10(16-12)17(4-14-6)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
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2.64E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208813
PNG
(2-(3''-(1''-(p-toluenesulfonyl)indolyl)ethyloxy)ad...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c2ccccc12
Show InChI InChI=1S/C27H28N6O7S/c1-15-6-8-17(9-7-15)41(37,38)33-12-16(18-4-2-3-5-19(18)33)10-11-39-27-30-24(28)21-25(31-27)32(14-29-21)26-23(36)22(35)20(13-34)40-26/h2-9,12,14,20,22-23,26,34-36H,10-11,13H2,1H3,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
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2.67E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208818
PNG
(2-(3''-(benzoimidazole-1''-yl)ethyloxy)adenosine |...)
Show SMILES Nc1nc(OCCn2cnc3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N7O5/c20-16-13-17(26(9-22-13)18-15(29)14(28)12(7-27)31-18)24-19(23-16)30-6-5-25-8-21-10-3-1-2-4-11(10)25/h1-4,8-9,12,14-15,18,27-29H,5-7H2,(H2,20,23,24)/t12-,14-,15-,18-/m1/s1
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3.87E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50208790
PNG
(2-(3''-(5''-bromo-1''-(p-toluenesulfonyl)indolyl)e...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c2cc(Br)ccc12
Show InChI InChI=1S/C27H27BrN6O7S/c1-14-2-5-17(6-3-14)42(38,39)34-11-15(18-10-16(28)4-7-19(18)34)8-9-40-27-31-24(29)21-25(32-27)33(13-30-21)26-23(37)22(36)20(12-35)41-26/h2-7,10-11,13,20,22-23,26,35-37H,8-9,12H2,1H3,(H2,29,31,32)/t20-,22-,23-,26-/m1/s1
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8.73E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 128n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208783
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 365n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208807
PNG
((2R,3S,4S,5R)-6-amino-5-ethylcarboxyamide-2-(3''-i...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
Show InChI InChI=1S/C22H25N7O5/c1-2-24-20(32)17-15(30)16(31)21(34-17)29-10-26-14-18(23)27-22(28-19(14)29)33-8-7-11-9-25-13-6-4-3-5-12(11)13/h3-6,9-10,15-17,21,25,30-31H,2,7-8H2,1H3,(H,24,32)(H2,23,27,28)/t15-,16+,17-,21+/m0/s1
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n/an/an/an/a 989n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208784
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(naphthalen-2-yl)eth...)
Show SMILES Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,28-30H,7-8,10H2,(H2,23,25,26)/t15-,17-,18-,21-/m1/s1
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n/an/an/an/a 1.44E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 110n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208817
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12
Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 54.5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208806
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-pyrrol-3-yl)ethoxy)-6-am...)
Show SMILES Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N6O5/c17-13-10-14(21-16(20-13)26-4-2-8-1-3-18-5-8)22(7-19-10)15-12(25)11(24)9(6-23)27-15/h1,3,5,7,9,11-12,15,18,23-25H,2,4,6H2,(H2,17,20,21)/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 2.58E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 39.7n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208801
PNG
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1
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n/an/an/an/a 220n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208804
PNG
((2R,3R,4S,5R)-2-(2-(2-(1H-indol-3-yl)ethoxy)-6-ami...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-23-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 299n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208796
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-methoxy-1H-indol-...)
Show SMILES COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
Show InChI InChI=1S/C21H24N6O6/c1-31-11-2-3-13-12(6-11)10(7-23-13)4-5-32-21-25-18(22)15-19(26-21)27(9-24-15)20-17(30)16(29)14(8-28)33-20/h2-3,6-7,9,14,16-17,20,23,28-30H,4-5,8H2,1H3,(H2,22,25,26)/t14-,16-,17-,20-/m1/s1
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n/an/an/an/a 1.25E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208782
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 2.18E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208788
PNG
((2R,3R,4S,5R)-2-(6-amino-2-phenethoxy-9H-purin-9-y...)
Show SMILES Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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n/an/an/an/a 3.49E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208786
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-chloro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21ClN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 216n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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n/an/an/an/a 1.68E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 109n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208785
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-hydroxy-1H-indol-...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22N6O6/c21-17-14-18(26(8-23-14)19-16(30)15(29)13(7-27)32-19)25-20(24-17)31-4-3-9-6-22-12-2-1-10(28)5-11(9)12/h1-2,5-6,8,13,15-16,19,22,27-30H,3-4,7H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 896n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 140n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208800
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(thiophen-2-yl)ethox...)
Show SMILES Nc1nc(OCCc2cccs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-4-3-8-2-1-5-27-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-2,5,7,9,11-12,15,22-24H,3-4,6H2,(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 1.78E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 21.9n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208791
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-iodo-1H-indol-3-y...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21IN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 1.87E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208809
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(5-fluoro-1H-indol-3...)
Show SMILES Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21FN6O5/c21-10-1-2-12-11(5-10)9(6-23-12)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 767n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%