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PubMed code 20304654

Compile data set for download or QSAR
Found 79 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 A2a


(Rattus norvegicus (rat))		BDBM50315603
PNG
(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,...)
Show SMILES Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
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 18.3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315595
PNG
(CHEMBL1089440 | N-(2-(furan-2-yl)-5-phenoxy-[1,2,4...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H15N7O3/c29-20(22-14-8-3-1-4-9-14)24-19-26-21(31-15-10-5-2-6-11-15)25-18-23-17(27-28(18)19)16-12-7-13-30-16/h1-13H,(H2,22,23,24,25,26,27,29)
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 38.9n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315604
PNG
(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-...)
Show SMILES CSc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14)
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 96.5n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315592
PNG
(2-(2-Furyl)-5-phenoxy 7-phenylacetylamino-[1,2,4]t...)
Show SMILES O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H16N6O3/c29-18(14-15-8-3-1-4-9-15)23-20-25-22(31-16-10-5-2-6-11-16)26-21-24-19(27-28(20)21)17-12-7-13-30-17/h1-13H,14H2,(H,23,24,25,26,27,29)
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 136n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315585
PNG
(7-Diphenyl-acetylamino-2-(2-furyl)-5-methylthio[1,...)
Show SMILES CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C23H18N6O2S/c1-32-23-26-21-24-19(17-13-8-14-31-17)28-29(21)22(27-23)25-20(30)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,18H,1H3,(H,24,25,26,27,28,30)
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 170n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315594
PNG
(2-(2-Furyl)-7-n-pentylcarbonylamino-5-phenoxy[1,2,...)
Show SMILES CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20N6O3/c1-2-3-5-12-16(27)21-18-23-20(29-14-9-6-4-7-10-14)24-19-22-17(25-26(18)19)15-11-8-13-28-15/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,22,23,24,25,27)
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 189n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315596
PNG
(1-(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-14-9-11-15(12-10-14)23-21(30)25-20-27-22(32-16-6-3-2-4-7-16)26-19-24-18(28-29(19)20)17-8-5-13-31-17/h2-13H,1H3,(H2,23,24,25,26,27,28,30)
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 214n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315601
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)
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 311n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315589
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C16H13N7O2S/c1-26-16-20-13-18-12(11-8-5-9-25-11)22-23(13)14(21-16)19-15(24)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
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 414n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315588
PNG
(2-(2-Furyl)-5-methylthio-7-n-pentylcarbonylamino-[...)
Show SMILES CCCCCC(=O)Nc1nc(SC)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H18N6O2S/c1-3-4-5-8-11(22)16-13-18-15(24-2)19-14-17-12(20-21(13)14)10-7-6-9-23-10/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18,19,20,22)
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 427n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315586
PNG
(2-(2-Furyl)-5-methylthio-7-phenylacetylamino[1,2,4...)
Show SMILES CSc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H14N6O2S/c1-26-17-20-15(18-13(24)10-11-6-3-2-4-7-11)23-16(21-17)19-14(22-23)12-8-5-9-25-12/h2-9H,10H2,1H3,(H,18,19,20,21,22,24)
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 429n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315597
PNG
(5-Dimethylamino-7-diphenylacetylamino-2-(2-furyl)-...)
Show SMILES CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C24H21N7O2/c1-30(2)22-27-23-25-20(18-14-9-15-33-18)29-31(23)24(28-22)26-21(32)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19H,1-2H3,(H,25,26,27,28,29,32)
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 473n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315603
PNG
(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,...)
Show SMILES Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
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 489n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315585
PNG
(7-Diphenyl-acetylamino-2-(2-furyl)-5-methylthio[1,...)
Show SMILES CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C23H18N6O2S/c1-32-23-26-21-24-19(17-13-8-14-31-17)28-29(21)22(27-23)25-20(30)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,18H,1H3,(H,24,25,26,27,28,30)
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 557n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315601
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)
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 580n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315595
PNG
(CHEMBL1089440 | N-(2-(furan-2-yl)-5-phenoxy-[1,2,4...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H15N7O3/c29-20(22-14-8-3-1-4-9-14)24-19-26-21(31-15-10-5-2-6-11-15)25-18-23-17(27-28(18)19)16-12-7-13-30-16/h1-13H,(H2,22,23,24,25,26,27,29)
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 633n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315590
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N7O2S/c1-10-5-7-11(8-6-10)18-16(25)20-15-22-17(27-2)21-14-19-13(23-24(14)15)12-4-3-9-26-12/h3-9H,1-2H3,(H2,18,19,20,21,22,23,25)
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 742n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315596
PNG
(1-(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-14-9-11-15(12-10-14)23-21(30)25-20-27-22(32-16-6-3-2-4-7-16)26-19-24-18(28-29(19)20)17-8-5-13-31-17/h2-13H,1H3,(H2,23,24,25,26,27,28,30)
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 750n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315593
PNG
(2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-phe...)
Show SMILES COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C23H18N6O4/c1-31-16-11-9-15(10-12-16)14-19(30)24-21-26-23(33-17-6-3-2-4-7-17)27-22-25-20(28-29(21)22)18-8-5-13-32-18/h2-13H,14H2,1H3,(H,24,25,26,27,28,30)
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 892n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315597
PNG
(5-Dimethylamino-7-diphenylacetylamino-2-(2-furyl)-...)
Show SMILES CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C24H21N7O2/c1-30(2)22-27-23-25-20(18-14-9-15-33-18)29-31(23)24(28-22)26-21(32)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19H,1-2H3,(H,25,26,27,28,29,32)
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 951n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315592
PNG
(2-(2-Furyl)-5-phenoxy 7-phenylacetylamino-[1,2,4]t...)
Show SMILES O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H16N6O3/c29-18(14-15-8-3-1-4-9-15)23-20-25-22(31-16-10-5-2-6-11-16)26-21-24-19(27-28(20)21)17-12-7-13-30-17/h1-13H,14H2,(H,23,24,25,26,27,29)
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 1.02E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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 1.05E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315586
PNG
(2-(2-Furyl)-5-methylthio-7-phenylacetylamino[1,2,4...)
Show SMILES CSc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H14N6O2S/c1-26-17-20-15(18-13(24)10-11-6-3-2-4-7-11)23-16(21-17)19-14(22-23)12-8-5-9-25-12/h2-9H,10H2,1H3,(H,18,19,20,21,22,24)
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 1.42E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315588
PNG
(2-(2-Furyl)-5-methylthio-7-n-pentylcarbonylamino-[...)
Show SMILES CCCCCC(=O)Nc1nc(SC)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H18N6O2S/c1-3-4-5-8-11(22)16-13-18-15(24-2)19-14-17-12(20-21(13)14)10-7-6-9-23-10/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18,19,20,22)
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 1.52E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315600
PNG
(5-Dimethylamino-2-(2-furyl)-7-n-pentylcarbonylamin...)
Show SMILES CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
Show InChI InChI=1S/C16H21N7O2/c1-4-5-6-9-12(24)17-15-19-14(22(2)3)20-16-18-13(21-23(15)16)11-8-7-10-25-11/h7-8,10H,4-6,9H2,1-3H3,(H,17,18,19,20,21,24)
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 1.57E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315587
PNG
(2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-met...)
Show SMILES COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N6O3S/c1-26-12-7-5-11(6-8-12)10-14(25)19-16-21-18(28-2)22-17-20-15(23-24(16)17)13-4-3-9-27-13/h3-9H,10H2,1-2H3,(H,19,20,21,22,23,25)
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 1.57E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315589
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C16H13N7O2S/c1-26-16-20-13-18-12(11-8-5-9-25-11)22-23(13)14(21-16)19-15(24)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
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 1.66E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315604
PNG
(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-...)
Show SMILES CSc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14)
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 1.73E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315591
PNG
(7-Diphenylacetylamino-2-(2-furyl)-5-phenoxy[1,2,4]...)
Show SMILES O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H20N6O3/c35-25(23(19-11-4-1-5-12-19)20-13-6-2-7-14-20)30-27-32-28(37-21-15-8-3-9-16-21)31-26-29-24(33-34(26)27)22-17-10-18-36-22/h1-18,23H,(H,29,30,31,32,33,35)
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 1.88E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315587
PNG
(2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-met...)
Show SMILES COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N6O3S/c1-26-12-7-5-11(6-8-12)10-14(25)19-16-21-18(28-2)22-17-20-15(23-24(16)17)13-4-3-9-27-13/h3-9H,10H2,1-2H3,(H,19,20,21,22,23,25)
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 2.10E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315594
PNG
(2-(2-Furyl)-7-n-pentylcarbonylamino-5-phenoxy[1,2,...)
Show SMILES CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20N6O3/c1-2-3-5-12-16(27)21-18-23-20(29-14-9-6-4-7-10-14)24-19-22-17(25-26(18)19)15-11-8-13-28-15/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,22,23,24,25,27)
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 2.20E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315590
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N7O2S/c1-10-5-7-11(8-6-10)18-16(25)20-15-22-17(27-2)21-14-19-13(23-24(14)15)12-4-3-9-26-12/h3-9H,1-2H3,(H2,18,19,20,21,22,23,25)
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 2.20E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315600
PNG
(5-Dimethylamino-2-(2-furyl)-7-n-pentylcarbonylamin...)
Show SMILES CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
Show InChI InChI=1S/C16H21N7O2/c1-4-5-6-9-12(24)17-15-19-14(22(2)3)20-16-18-13(21-23(15)16)11-8-7-10-25-11/h7-8,10H,4-6,9H2,1-3H3,(H,17,18,19,20,21,24)
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 2.20E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315604
PNG
(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-...)
Show SMILES CSc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14)
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 2.58E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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 2.70E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315603
PNG
(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,...)
Show SMILES Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
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 2.72E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315602
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H18N8O2/c1-11-6-8-12(9-7-11)19-18(27)23-17-22-15(25(2)3)21-16-20-14(24-26(16)17)13-5-4-10-28-13/h4-10H,1-3H3,(H2,19,20,21,22,23,24,27)
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 2.72E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315602
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H18N8O2/c1-11-6-8-12(9-7-11)19-18(27)23-17-22-15(25(2)3)21-16-20-14(24-26(16)17)13-5-4-10-28-13/h4-10H,1-3H3,(H2,19,20,21,22,23,24,27)
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 2.72E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315594
PNG
(2-(2-Furyl)-7-n-pentylcarbonylamino-5-phenoxy[1,2,...)
Show SMILES CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20N6O3/c1-2-3-5-12-16(27)21-18-23-20(29-14-9-6-4-7-10-14)24-19-22-17(25-26(18)19)15-11-8-13-28-15/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,22,23,24,25,27)
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 2.90E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315601
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)
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 3.15E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315590
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N7O2S/c1-10-5-7-11(8-6-10)18-16(25)20-15-22-17(27-2)21-14-19-13(23-24(14)15)12-4-3-9-26-12/h3-9H,1-2H3,(H2,18,19,20,21,22,23,25)
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 3.44E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315584
PNG
(7-Amino-5-dimethylammino-2-(2-furyl)-[1,2,4]triazo...)
Show SMILES CN(C)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C10H11N7O/c1-16(2)9-13-8(11)17-10(14-9)12-7(15-17)6-4-3-5-18-6/h3-5H,1-2H3,(H2,11,12,13,14,15)
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 3.80E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315597
PNG
(5-Dimethylamino-7-diphenylacetylamino-2-(2-furyl)-...)
Show SMILES CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C24H21N7O2/c1-30(2)22-27-23-25-20(18-14-9-15-33-18)29-31(23)24(28-22)26-21(32)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19H,1-2H3,(H,25,26,27,28,29,32)
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 4.09E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315586
PNG
(2-(2-Furyl)-5-methylthio-7-phenylacetylamino[1,2,4...)
Show SMILES CSc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H14N6O2S/c1-26-17-20-15(18-13(24)10-11-6-3-2-4-7-11)23-16(21-17)19-14(22-23)12-8-5-9-25-12/h2-9H,10H2,1H3,(H,18,19,20,21,22,24)
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 4.20E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315591
PNG
(7-Diphenylacetylamino-2-(2-furyl)-5-phenoxy[1,2,4]...)
Show SMILES O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H20N6O3/c35-25(23(19-11-4-1-5-12-19)20-13-6-2-7-14-20)30-27-32-28(37-21-15-8-3-9-16-21)31-26-29-24(33-34(26)27)22-17-10-18-36-22/h1-18,23H,(H,29,30,31,32,33,35)
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 4.40E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315587
PNG
(2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-met...)
Show SMILES COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N6O3S/c1-26-12-7-5-11(6-8-12)10-14(25)19-16-21-18(28-2)22-17-20-15(23-24(16)17)13-4-3-9-27-13/h3-9H,10H2,1-2H3,(H,19,20,21,22,23,25)
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 5.00E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315593
PNG
(2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-phe...)
Show SMILES COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C23H18N6O4/c1-31-16-11-9-15(10-12-16)14-19(30)24-21-26-23(33-17-6-3-2-4-7-17)27-22-25-20(28-29(21)22)18-8-5-13-32-18/h2-13H,14H2,1H3,(H,24,25,26,27,28,30)
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 5.20E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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 6.08E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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 6.70E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315592
PNG
(2-(2-Furyl)-5-phenoxy 7-phenylacetylamino-[1,2,4]t...)
Show SMILES O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H16N6O3/c29-18(14-15-8-3-1-4-9-15)23-20-25-22(31-16-10-5-2-6-11-16)26-21-24-19(27-28(20)21)17-12-7-13-30-17/h1-13H,14H2,(H,23,24,25,26,27,29)
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 7.26E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315584
PNG
(7-Amino-5-dimethylammino-2-(2-furyl)-[1,2,4]triazo...)
Show SMILES CN(C)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C10H11N7O/c1-16(2)9-13-8(11)17-10(14-9)12-7(15-17)6-4-3-5-18-6/h3-5H,1-2H3,(H2,11,12,13,14,15)
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 7.27E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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 8.74E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50315602
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H18N8O2/c1-11-6-8-12(9-7-11)19-18(27)23-17-22-15(25(2)3)21-16-20-14(24-26(16)17)13-5-4-10-28-13/h4-10H,1-3H3,(H2,19,20,21,22,23,24,27)
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 9.60E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315585
PNG
(7-Diphenyl-acetylamino-2-(2-furyl)-5-methylthio[1,...)
Show SMILES CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C23H18N6O2S/c1-32-23-26-21-24-19(17-13-8-14-31-17)28-29(21)22(27-23)25-20(30)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,18H,1H3,(H,24,25,26,27,28,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315589
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C16H13N7O2S/c1-26-16-20-13-18-12(11-8-5-9-25-11)22-23(13)14(21-16)19-15(24)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
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 1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315600
PNG
(5-Dimethylamino-2-(2-furyl)-7-n-pentylcarbonylamin...)
Show SMILES CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
Show InChI InChI=1S/C16H21N7O2/c1-4-5-6-9-12(24)17-15-19-14(22(2)3)20-16-18-13(21-23(15)16)11-8-7-10-25-11/h7-8,10H,4-6,9H2,1-3H3,(H,17,18,19,20,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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 1.03E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50315584
PNG
(7-Amino-5-dimethylammino-2-(2-furyl)-[1,2,4]triazo...)
Show SMILES CN(C)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C10H11N7O/c1-16(2)9-13-8(11)17-10(14-9)12-7(15-17)6-4-3-5-18-6/h3-5H,1-2H3,(H2,11,12,13,14,15)
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 3.14E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315584
PNG
(7-Amino-5-dimethylammino-2-(2-furyl)-[1,2,4]triazo...)
Show SMILES CN(C)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C10H11N7O/c1-16(2)9-13-8(11)17-10(14-9)12-7(15-17)6-4-3-5-18-6/h3-5H,1-2H3,(H2,11,12,13,14,15)
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n/an/an/an/a 3.37E+4n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315594
PNG
(2-(2-Furyl)-7-n-pentylcarbonylamino-5-phenoxy[1,2,...)
Show SMILES CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20N6O3/c1-2-3-5-12-16(27)21-18-23-20(29-14-9-6-4-7-10-14)24-19-22-17(25-26(18)19)15-11-8-13-28-15/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,22,23,24,25,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315588
PNG
(2-(2-Furyl)-5-methylthio-7-n-pentylcarbonylamino-[...)
Show SMILES CCCCCC(=O)Nc1nc(SC)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H18N6O2S/c1-3-4-5-8-11(22)16-13-18-15(24-2)19-14-17-12(20-21(13)14)10-7-6-9-23-10/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18,19,20,22)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315595
PNG
(CHEMBL1089440 | N-(2-(furan-2-yl)-5-phenoxy-[1,2,4...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H15N7O3/c29-20(22-14-8-3-1-4-9-14)24-19-26-21(31-15-10-5-2-6-11-15)25-18-23-17(27-28(18)19)16-12-7-13-30-16/h1-13H,(H2,22,23,24,25,26,27,29)
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n/an/an/an/a 8.87E+3n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315596
PNG
(1-(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C22H17N7O3/c1-14-9-11-15(12-10-14)23-21(30)25-20-27-22(32-16-6-3-2-4-7-16)26-19-24-18(28-29(19)20)17-8-5-13-31-17/h2-13H,1H3,(H2,23,24,25,26,27,28,30)
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n/an/an/an/a 2.00E+4n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315590
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N7O2S/c1-10-5-7-11(8-6-10)18-16(25)20-15-22-17(27-2)21-14-19-13(23-24(14)15)12-4-3-9-26-12/h3-9H,1-2H3,(H2,18,19,20,21,22,23,25)
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n/an/an/an/a 1.68E+4n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315600
PNG
(5-Dimethylamino-2-(2-furyl)-7-n-pentylcarbonylamin...)
Show SMILES CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
Show InChI InChI=1S/C16H21N7O2/c1-4-5-6-9-12(24)17-15-19-14(22(2)3)20-16-18-13(21-23(15)16)11-8-7-10-25-11/h7-8,10H,4-6,9H2,1-3H3,(H,17,18,19,20,21,24)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315604
PNG
(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-...)
Show SMILES CSc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C9H8N6OS/c1-17-9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-16-5/h2-4H,1H3,(H2,10,11,12,13,14)
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n/an/an/an/a 1.49E+4n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315589
PNG
(1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1...)
Show SMILES CSc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C16H13N7O2S/c1-26-16-20-13-18-12(11-8-5-9-25-11)22-23(13)14(21-16)19-15(24)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
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n/an/an/an/a 1.71E+4n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315591
PNG
(7-Diphenylacetylamino-2-(2-furyl)-5-phenoxy[1,2,4]...)
Show SMILES O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H20N6O3/c35-25(23(19-11-4-1-5-12-19)20-13-6-2-7-14-20)30-27-32-28(37-21-15-8-3-9-16-21)31-26-29-24(33-34(26)27)22-17-10-18-36-22/h1-18,23H,(H,29,30,31,32,33,35)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315586
PNG
(2-(2-Furyl)-5-methylthio-7-phenylacetylamino[1,2,4...)
Show SMILES CSc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H14N6O2S/c1-26-17-20-15(18-13(24)10-11-6-3-2-4-7-11)23-16(21-17)19-14(22-23)12-8-5-9-25-12/h2-9H,10H2,1H3,(H,18,19,20,21,22,24)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315587
PNG
(2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-met...)
Show SMILES COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H16N6O3S/c1-26-12-7-5-11(6-8-12)10-14(25)19-16-21-18(28-2)22-17-20-15(23-24(16)17)13-4-3-9-27-13/h3-9H,10H2,1-2H3,(H,19,20,21,22,23,25)
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n/an/an/an/a 4.24E+4n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315585
PNG
(7-Diphenyl-acetylamino-2-(2-furyl)-5-methylthio[1,...)
Show SMILES CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C23H18N6O2S/c1-32-23-26-21-24-19(17-13-8-14-31-17)28-29(21)22(27-23)25-20(30)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,18H,1H3,(H,24,25,26,27,28,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315601
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H16N8O2/c1-24(2)14-20-15-19-13(12-9-6-10-27-12)23-25(15)16(21-14)22-17(26)18-11-7-4-3-5-8-11/h3-10H,1-2H3,(H2,18,19,20,21,22,23,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315602
PNG
(1-(5-(dimethylamino)-2-(furan-2-yl)-[1,2,4]triazol...)
Show SMILES CN(C)c1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H18N8O2/c1-11-6-8-12(9-7-11)19-18(27)23-17-22-15(25(2)3)21-16-20-14(24-26(16)17)13-5-4-10-28-13/h4-10H,1-3H3,(H2,19,20,21,22,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315592
PNG
(2-(2-Furyl)-5-phenoxy 7-phenylacetylamino-[1,2,4]t...)
Show SMILES O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H16N6O3/c29-18(14-15-8-3-1-4-9-15)23-20-25-22(31-16-10-5-2-6-11-16)26-21-24-19(27-28(20)21)17-12-7-13-30-17/h1-13H,14H2,(H,23,24,25,26,27,29)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315593
PNG
(2-(2-Furyl)-7-[4-(methoxyphenyl)acetyl]amino-5-phe...)
Show SMILES COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C23H18N6O4/c1-31-16-11-9-15(10-12-16)14-19(30)24-21-26-23(33-17-6-3-2-4-7-17)27-22-25-20(28-29(21)22)18-8-5-13-32-18/h2-13H,14H2,1H3,(H,24,25,26,27,28,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315597
PNG
(5-Dimethylamino-7-diphenylacetylamino-2-(2-furyl)-...)
Show SMILES CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C24H21N7O2/c1-30(2)22-27-23-25-20(18-14-9-15-33-18)29-31(23)24(28-22)26-21(32)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-15,19H,1-2H3,(H,25,26,27,28,29,32)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315598
PNG
(5-Dimethylamino-2-(2-furyl)-7-phenylacetylamino-[1...)
Show SMILES CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H17N7O2/c1-24(2)16-21-17(19-14(26)11-12-7-4-3-5-8-12)25-18(22-16)20-15(23-25)13-9-6-10-27-13/h3-10H,11H2,1-2H3,(H,19,20,21,22,23,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315599
PNG
(5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-a...)
Show SMILES COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
Show InChI InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50315603
PNG
(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,...)
Show SMILES Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10N6O2/c15-12-17-14(22-9-5-2-1-3-6-9)18-13-16-11(19-20(12)13)10-7-4-8-21-10/h1-8H,(H2,15,16,17,18,19)
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n/an/an/an/a 3.42E+3n/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity

Bioorg Med Chem 18: 2524-36 (2010)


Article DOI: 10.1016/j.bmc.2010.02.039
BindingDB Entry DOI: 10.7270/Q2P84C13
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%