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PubMed code 17149867

Compile data set for download or QSAR
Found 51 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199969
PNG
(2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-N6-meth...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C19H26N8O4/c1-20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)31-18)23-19(22-16)27-7-11(24-25-27)6-10-4-2-3-5-10/h7,9-10,12,14-15,18,28-30H,2-6,8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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PubMed
1.30n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199967
PNG
(2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ri...)
Show SMILES COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199977
PNG
(9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C20H22N10O4/c1-3-22-18(33)15-13(31)14(32)19(34-15)29-9-24-12-16(21-2)25-20(26-17(12)29)30-8-11(27-28-30)10-6-4-5-7-23-10/h4-9,13-15,19,31-32H,3H2,1-2H3,(H,22,33)(H,21,25,26)/t13-,14+,15-,19+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199971
PNG
(9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1
Show InChI InChI=1S/C15H19N9O4/c1-3-17-13(27)10-8(25)9(26)14(28-10)23-6-18-7-11(16-2)20-15(21-12(7)23)24-5-4-19-22-24/h4-6,8-10,14,25-26H,3H2,1-2H3,(H,17,27)(H,16,20,21)/t8-,9+,10-,14+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199970
PNG
(9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C22H25N9O4/c1-3-24-20(34)17-15(32)16(33)21(35-17)30-11-25-14-18(23-2)26-22(27-19(14)30)31-10-13(28-29-31)9-12-7-5-4-6-8-12/h4-8,10-11,15-17,21,32-33H,3,9H2,1-2H3,(H,24,34)(H,23,26,27)/t15-,16+,17-,21+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199983
PNG
(2-(4-butyl-1,2,3-triazol-1-yl)-9-(5-ethylcarbamoyl...)
Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C19H27N9O4/c1-4-6-7-10-8-28(26-25-10)19-23-15(20-3)11-16(24-19)27(9-22-11)18-13(30)12(29)14(32-18)17(31)21-5-2/h8-9,12-14,18,29-30H,4-7H2,1-3H3,(H,21,31)(H,20,23,24)/t12-,13+,14-,18+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199976
PNG
(CHEMBL437344 | N6-methyl-2-(4-benzyl-1,2,3-triazol...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C20H22N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,19,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199968
PNG
(CHEMBL218326 | N6-methyl-2-[4-pyridin-2-yl-1,2,3-t...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199985
PNG
(CHEMBL218450 | N6-methyl-9-(beta-D-ribofuranosyl)-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1
Show InChI InChI=1S/C13H16N8O4/c1-14-10-7-11(18-13(17-10)21-3-2-16-19-21)20(5-15-7)12-9(24)8(23)6(4-22)25-12/h2-3,5-6,8-9,12,22-24H,4H2,1H3,(H,14,17,18)/t6-,8-,9-,12-/m1/s1
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10.4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199973
PNG
(2-azido-N6-methyl-9-(beta-D-ribofuranosyl)adenine ...)
Show SMILES CNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N8O4/c1-13-8-5-9(16-11(15-8)17-18-12)19(3-14-5)10-7(22)6(21)4(2-20)23-10/h3-4,6-7,10,20-22H,2H2,1H3,(H,13,15,16)/t4-,6-,7-,10-/m1/s1
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10.8n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199981
PNG
(2-azido-9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(N=[N+]=[N-])nc12
Show InChI InChI=1S/C13H17N9O4/c1-3-16-11(25)8-6(23)7(24)12(26-8)22-4-17-5-9(15-2)18-13(20-21-14)19-10(5)22/h4,6-8,12,23-24H,3H2,1-2H3,(H,16,25)(H,15,18,19)/t6-,7+,8-,12+/m0/s1
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11.4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199986
PNG
(2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-9-(5-et...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C21H29N9O4/c1-3-23-19(33)16-14(31)15(32)20(34-16)29-10-24-13-17(22-2)25-21(26-18(13)29)30-9-12(27-28-30)8-11-6-4-5-7-11/h9-11,14-16,20,31-32H,3-8H2,1-2H3,(H,23,33)(H,22,25,26)/t14-,15+,16-,20+/m0/s1
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11.5n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199974
PNG
(2-(4-butyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D...)
Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H24N8O4/c1-3-4-5-9-6-25(23-22-9)17-20-14(18-2)11-15(21-17)24(8-19-11)16-13(28)12(27)10(7-26)29-16/h6,8,10,12-13,16,26-28H,3-5,7H2,1-2H3,(H,18,20,21)/t10-,12-,13-,16-/m1/s1
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11.7n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199979
PNG
(2-(4-ethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D...)
Show SMILES CCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H20N8O4/c1-3-7-4-23(21-20-7)15-18-12(16-2)9-13(19-15)22(6-17-9)14-11(26)10(25)8(5-24)27-14/h4,6,8,10-11,14,24-26H,3,5H2,1-2H3,(H,16,18,19)/t8-,10-,11-,14-/m1/s1
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13.8n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199988
PNG
(CHEMBL387030 | N6-methyl-2-(4-phenyl-1,2,3-triazol...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)31-18)23-19(22-16)27-7-11(24-25-27)10-5-3-2-4-6-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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14.9n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199984
PNG
(CHEMBL218378 | N6-(5-chloro-2-methoxybenzyl)-2-(4-...)
Show SMILES COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1
Show InChI InChI=1S/C26H31ClN8O5/c1-39-17-6-7-18(27)15(9-17)10-28-23-20-24(34(13-29-20)25-22(38)21(37)19(12-36)40-25)31-26(30-23)35-11-16(32-33-35)8-14-4-2-3-5-14/h6-7,9,11,13-14,19,21-22,25,36-38H,2-5,8,10,12H2,1H3,(H,28,30,31)/t19-,21-,22-,25-/m1/s1
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18n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199987
PNG
(2-(4-cyclohexylmethyl-1,2,3-triazol-1-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C20H28N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h8,10-11,13,15-16,19,29-31H,2-7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
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21.3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199966
PNG
(CHEMBL218505 | N6-methyl-2-[4-(4-propoxyphenyl)-1,...)
Show SMILES CCCOc1ccc(cc1)-c1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C22H26N8O5/c1-3-8-34-13-6-4-12(5-7-13)14-9-30(28-27-14)22-25-19(23-2)16-20(26-22)29(11-24-16)21-18(33)17(32)15(10-31)35-21/h4-7,9,11,15,17-18,21,31-33H,3,8,10H2,1-2H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
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25.2n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199978
PNG
(2-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CCO)nn1
Show InChI InChI=1S/C15H20N8O5/c1-16-12-9-13(19-15(18-12)23-4-7(2-3-24)20-21-23)22(6-17-9)14-11(27)10(26)8(5-25)28-14/h4,6,8,10-11,14,24-27H,2-3,5H2,1H3,(H,16,18,19)/t8-,10-,11-,14-/m1/s1
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45n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199975
PNG
(2-(1-benzyl-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C20H22N8O4/c1-21-18-14-19(28(10-22-14)20-16(31)15(30)13(9-29)32-20)24-17(23-18)12-8-27(26-25-12)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,20,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,20-/m1/s1
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53.9n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199967
PNG
(2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ri...)
Show SMILES COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1
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60n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199972
PNG
(2-[1-(3-chlorobenzyl)-1,2,3-triazol-4-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C20H21ClN8O4/c1-22-18-14-19(29(9-23-14)20-16(32)15(31)13(8-30)33-20)25-17(24-18)12-7-28(27-26-12)6-10-3-2-4-11(21)5-10/h2-5,7,9,13,15-16,20,30-32H,6,8H2,1H3,(H,22,24,25)/t13-,15-,16-,20-/m1/s1
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81.1n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199982
PNG
(2-[1-(3-methoxybenzyl)-1,2,3-triazol-4-yl)-N6-meth...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(OC)c2)nn1
Show InChI InChI=1S/C21H24N8O5/c1-22-19-15-20(29(10-23-15)21-17(32)16(31)14(9-30)34-21)25-18(24-19)13-8-28(27-26-13)7-11-4-3-5-12(6-11)33-2/h3-6,8,10,14,16-17,21,30-32H,7,9H2,1-2H3,(H,22,24,25)/t14-,16-,17-,21-/m1/s1
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86.1n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199980
PNG
(2-(4-dimethylaminomethyl-1,2,3-triazol-1-yl)-N6-me...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1
Show InChI InChI=1S/C16H23N9O4/c1-17-13-10-14(20-16(19-13)25-5-8(21-22-25)4-23(2)3)24(7-18-10)15-12(28)11(27)9(6-26)29-15/h5,7,9,11-12,15,26-28H,4,6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
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117n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199973
PNG
(2-azido-N6-methyl-9-(beta-D-ribofuranosyl)adenine ...)
Show SMILES CNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N8O4/c1-13-8-5-9(16-11(15-8)17-18-12)19(3-14-5)10-7(22)6(21)4(2-20)23-10/h3-4,6-7,10,20-22H,2H2,1H3,(H,13,15,16)/t4-,6-,7-,10-/m1/s1
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230n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50199969
PNG
(2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-N6-meth...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C19H26N8O4/c1-20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)31-18)23-19(22-16)27-7-11(24-25-27)6-10-4-2-3-5-10/h7,9-10,12,14-15,18,28-30H,2-6,8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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312n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199969
PNG
(2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-N6-meth...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C19H26N8O4/c1-20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)31-18)23-19(22-16)27-7-11(24-25-27)6-10-4-2-3-5-10/h7,9-10,12,14-15,18,28-30H,2-6,8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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335n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199981
PNG
(2-azido-9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(N=[N+]=[N-])nc12
Show InChI InChI=1S/C13H17N9O4/c1-3-16-11(25)8-6(23)7(24)12(26-8)22-4-17-5-9(15-2)18-13(20-21-14)19-10(5)22/h4,6-8,12,23-24H,3H2,1-2H3,(H,16,25)(H,15,18,19)/t6-,7+,8-,12+/m0/s1
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429n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199970
PNG
(9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C22H25N9O4/c1-3-24-20(34)17-15(32)16(33)21(35-17)30-11-25-14-18(23-2)26-22(27-19(14)30)31-10-13(28-29-31)9-12-7-5-4-6-8-12/h4-8,10-11,15-17,21,32-33H,3,9H2,1-2H3,(H,24,34)(H,23,26,27)/t15-,16+,17-,21+/m0/s1
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510n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199976
PNG
(CHEMBL437344 | N6-methyl-2-(4-benzyl-1,2,3-triazol...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C20H22N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,19,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
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589n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199971
PNG
(9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1
Show InChI InChI=1S/C15H19N9O4/c1-3-17-13(27)10-8(25)9(26)14(28-10)23-6-18-7-11(16-2)20-15(21-12(7)23)24-5-4-19-22-24/h4-6,8-10,14,25-26H,3H2,1-2H3,(H,17,27)(H,16,20,21)/t8-,9+,10-,14+/m0/s1
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590n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199983
PNG
(2-(4-butyl-1,2,3-triazol-1-yl)-9-(5-ethylcarbamoyl...)
Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C19H27N9O4/c1-4-6-7-10-8-28(26-25-10)19-23-15(20-3)11-16(24-19)27(9-22-11)18-13(30)12(29)14(32-18)17(31)21-5-2/h8-9,12-14,18,29-30H,4-7H2,1-3H3,(H,21,31)(H,20,23,24)/t12-,13+,14-,18+/m0/s1
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750n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199975
PNG
(2-(1-benzyl-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C20H22N8O4/c1-21-18-14-19(28(10-22-14)20-16(31)15(30)13(9-29)32-20)24-17(23-18)12-8-27(26-25-12)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,20,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,20-/m1/s1
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770n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199984
PNG
(CHEMBL218378 | N6-(5-chloro-2-methoxybenzyl)-2-(4-...)
Show SMILES COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1
Show InChI InChI=1S/C26H31ClN8O5/c1-39-17-6-7-18(27)15(9-17)10-28-23-20-24(34(13-29-20)25-22(38)21(37)19(12-36)40-25)31-26(30-23)35-11-16(32-33-35)8-14-4-2-3-5-14/h6-7,9,11,13-14,19,21-22,25,36-38H,2-5,8,10,12H2,1H3,(H,28,30,31)/t19-,21-,22-,25-/m1/s1
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830n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199974
PNG
(2-(4-butyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D...)
Show SMILES CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H24N8O4/c1-3-4-5-9-6-25(23-22-9)17-20-14(18-2)11-15(21-17)24(8-19-11)16-13(28)12(27)10(7-26)29-16/h6,8,10,12-13,16,26-28H,3-5,7H2,1-2H3,(H,18,20,21)/t10-,12-,13-,16-/m1/s1
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848n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199972
PNG
(2-[1-(3-chlorobenzyl)-1,2,3-triazol-4-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C20H21ClN8O4/c1-22-18-14-19(29(9-23-14)20-16(32)15(31)13(8-30)33-20)25-17(24-18)12-7-28(27-26-12)6-10-3-2-4-11(21)5-10/h2-5,7,9,13,15-16,20,30-32H,6,8H2,1H3,(H,22,24,25)/t13-,15-,16-,20-/m1/s1
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956n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199982
PNG
(2-[1-(3-methoxybenzyl)-1,2,3-triazol-4-yl)-N6-meth...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(OC)c2)nn1
Show InChI InChI=1S/C21H24N8O5/c1-22-19-15-20(29(10-23-15)21-17(32)16(31)14(9-30)34-21)25-18(24-19)13-8-28(27-26-13)7-11-4-3-5-12(6-11)33-2/h3-6,8,10,14,16-17,21,30-32H,7,9H2,1-2H3,(H,22,24,25)/t14-,16-,17-,21-/m1/s1
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957n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199985
PNG
(CHEMBL218450 | N6-methyl-9-(beta-D-ribofuranosyl)-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1
Show InChI InChI=1S/C13H16N8O4/c1-14-10-7-11(18-13(17-10)21-3-2-16-19-21)20(5-15-7)12-9(24)8(23)6(4-22)25-12/h2-3,5-6,8-9,12,22-24H,4H2,1H3,(H,14,17,18)/t6-,8-,9-,12-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199986
PNG
(2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-9-(5-et...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C21H29N9O4/c1-3-23-19(33)16-14(31)15(32)20(34-16)29-10-24-13-17(22-2)25-21(26-18(13)29)30-9-12(27-28-30)8-11-6-4-5-7-11/h9-11,14-16,20,31-32H,3-8H2,1-2H3,(H,23,33)(H,22,25,26)/t14-,15+,16-,20+/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199978
PNG
(2-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CCO)nn1
Show InChI InChI=1S/C15H20N8O5/c1-16-12-9-13(19-15(18-12)23-4-7(2-3-24)20-21-23)22(6-17-9)14-11(27)10(26)8(5-25)28-14/h4,6,8,10-11,14,24-27H,2-3,5H2,1H3,(H,16,18,19)/t8-,10-,11-,14-/m1/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199987
PNG
(2-(4-cyclohexylmethyl-1,2,3-triazol-1-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C20H28N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h8,10-11,13,15-16,19,29-31H,2-7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
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1.43E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199977
PNG
(9-(5-ethylcarbamoyl-beta-D-ribofuranosyl)-N6-methy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C20H22N10O4/c1-3-22-18(33)15-13(31)14(32)19(34-15)29-9-24-12-16(21-2)25-20(26-17(12)29)30-8-11(27-28-30)10-6-4-5-7-23-10/h4-9,13-15,19,31-32H,3H2,1-2H3,(H,22,33)(H,21,25,26)/t13-,14+,15-,19+/m0/s1
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1.64E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50199976
PNG
(CHEMBL437344 | N6-methyl-2-(4-benzyl-1,2,3-triazol...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C20H22N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h2-6,8,10,13,15-16,19,29-31H,7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
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1.79E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50199967
PNG
(2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ri...)
Show SMILES COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human Adenosine A2A receptor expressed in CHO cells


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199968
PNG
(CHEMBL218326 | N6-methyl-2-[4-pyridin-2-yl-1,2,3-t...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1
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1.97E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199979
PNG
(2-(4-ethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D...)
Show SMILES CCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H20N8O4/c1-3-7-4-23(21-20-7)15-18-12(16-2)9-13(19-15)22(6-17-9)14-11(26)10(25)8(5-24)27-14/h4,6,8,10-11,14,24-26H,3,5H2,1-2H3,(H,16,18,19)/t8-,10-,11-,14-/m1/s1
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2.92E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199980
PNG
(2-(4-dimethylaminomethyl-1,2,3-triazol-1-yl)-N6-me...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1
Show InChI InChI=1S/C16H23N9O4/c1-17-13-10-14(20-16(19-13)25-5-8(21-22-25)4-23(2)3)24(7-18-10)15-12(28)11(27)9(6-26)29-15/h5,7,9,11-12,15,26-28H,4,6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50199984
PNG
(CHEMBL218378 | N6-(5-chloro-2-methoxybenzyl)-2-(4-...)
Show SMILES COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1
Show InChI InChI=1S/C26H31ClN8O5/c1-39-17-6-7-18(27)15(9-17)10-28-23-20-24(34(13-29-20)25-22(38)21(37)19(12-36)40-25)31-26(30-23)35-11-16(32-33-35)8-14-4-2-3-5-14/h6-7,9,11,13-14,19,21-22,25,36-38H,2-5,8,10,12H2,1H3,(H,28,30,31)/t19-,21-,22-,25-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human Adenosine A2A receptor expressed in CHO cells


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50199966
PNG
(CHEMBL218505 | N6-methyl-2-[4-(4-propoxyphenyl)-1,...)
Show SMILES CCCOc1ccc(cc1)-c1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C22H26N8O5/c1-3-8-34-13-6-4-12(5-7-13)14-9-30(28-27-14)22-25-19(23-2)16-20(26-22)29(11-24-16)21-18(33)17(32)15(10-31)35-21/h4-7,9,11,15,17-18,21,31-33H,3,8,10H2,1-2H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50199980
PNG
(2-(4-dimethylaminomethyl-1,2,3-triazol-1-yl)-N6-me...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1
Show InChI InChI=1S/C16H23N9O4/c1-17-13-10-14(20-16(19-13)25-5-8(21-22-25)4-23(2)3)24(7-18-10)15-12(28)11(27)9(6-26)29-15/h5,7,9,11-12,15,26-28H,4,6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50199968
PNG
(CHEMBL218326 | N6-methyl-2-[4-pyridin-2-yl-1,2,3-t...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


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


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%