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PubMed code 21214204

Compile data set for download or QSAR
Found 100 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


(Homo sapiens (Human))		BDBM50360189
PNG
(CHEMBL1927629)
Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H24N8O2/c1-18(2,3)11-13(27)24-6-8-25(9-7-24)16-21-15(19)26-17(22-16)20-14(23-26)12-5-4-10-28-12/h4-5,10H,6-9,11H2,1-3H3,(H2,19,20,21,22,23)
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PubMed
 11.1n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360207
PNG
(CHEMBL1927433)
Show SMILES Nc1nc(NCCOCCOCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H20N8O3/c15-3-6-23-8-9-24-7-4-17-13-19-12(16)22-14(20-13)18-11(21-22)10-2-1-5-25-10/h1-2,5H,3-4,6-9,15H2,(H3,16,17,18,19,20,21)/p+1
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PubMed
 11.5n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360184
PNG
(CHEMBL1927444)
Show SMILES Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 |(33.51,-20.77,;33.51,-22.31,;32.18,-23.08,;32.18,-24.63,;30.84,-25.4,;29.51,-24.62,;28.17,-25.39,;26.84,-24.61,;25.51,-25.37,;25.5,-26.91,;24.16,-27.67,;22.83,-26.89,;26.83,-27.69,;28.17,-26.92,;33.51,-25.4,;34.85,-24.63,;36.32,-25.11,;37.23,-23.85,;36.32,-22.6,;34.85,-23.08,;38.77,-23.85,;39.68,-22.61,;41.14,-23.08,;41.14,-24.62,;39.68,-25.1,)|
Show InChI InChI=1S/C16H22N8O/c17-8-10-3-5-11(6-4-10)9-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-25-12/h1-2,7,10-11H,3-6,8-9,17H2,(H3,18,19,20,21,22,23)/p+1
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 16.9n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360204
PNG
(CHEMBL1927430)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H28N8O5/c1-19(2,3)32-18(28)22-7-10-30-12-11-29-9-6-21-16-24-15(20)27-17(25-16)23-14(26-27)13-5-4-8-31-13/h4-5,8H,6-7,9-12H2,1-3H3,(H,22,28)(H3,20,21,23,24,25,26)
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 17.8n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50151183
PNG
(5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]tr...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)
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 20.6n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360198
PNG
(CHEMBL1927422)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O3/c1-17(2,3)28-16(26)24-8-6-23(7-9-24)14-20-13(18)25-15(21-14)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
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 21n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360206
PNG
(CHEMBL1927432)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C19H19BrN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 27.3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360202
PNG
(CHEMBL1927428)
Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23)
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 38.6n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360181
PNG
(CHEMBL1927442)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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 39.1n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360196
PNG
(CHEMBL1927426)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C15H20N8O3/c1-15(2,3)26-14(24)18-7-6-17-12-20-11(16)23-13(21-12)19-10(22-23)9-5-4-8-25-9/h4-5,8H,6-7H2,1-3H3,(H,18,24)(H3,16,17,19,20,21,22)
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 40.9n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360194
PNG
(CHEMBL1927634)
Show SMILES Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C15H11N7O2/c16-13-19-14-17-11(10-7-4-8-24-10)21-22(14)15(20-13)18-12(23)9-5-2-1-3-6-9/h1-8H,(H3,16,17,18,19,20,21,23)
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 44.1n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360203
PNG
(CHEMBL1927429)
Show SMILES CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H26N8O3/c1-18(2,3)29-17(27)21-10-6-4-5-9-20-15-23-14(19)26-16(24-15)22-13(25-26)12-8-7-11-28-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,27)(H3,19,20,22,23,24,25)
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 44.7n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50151201
PNG
(5-[4-(3-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-4-1-3-13(11-14)12-26-6-8-27(9-7-26)18-23-17(21)28-19(24-18)22-16(25-28)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H2,21,22,23,24,25)
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 51.8n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360205
PNG
(CHEMBL1927431)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H19FN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 52.3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360188
PNG
(CHEMBL1927628)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O2/c1-17(2,3)13(26)23-6-8-24(9-7-23)15-20-14(18)25-16(21-15)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
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 58.4n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360199
PNG
(CHEMBL1927423)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
Show InChI InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
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 59.1n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360210
PNG
(CHEMBL1927437)
Show SMILES COC(=O)CCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H20N8O4/c1-28-13(27)5-4-12(26)23-6-8-24(9-7-23)16-20-15(18)25-17(21-16)19-14(22-25)11-3-2-10-29-11/h2-3,10H,4-9H2,1H3,(H2,18,19,20,21,22)
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 66.2n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360201
PNG
(CHEMBL1927427)
Show SMILES CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)|
Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28)
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 69.7n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360197
PNG
(CHEMBL1927434)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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 86.2n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360206
PNG
(CHEMBL1927432)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C19H19BrN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 86.7n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360186
PNG
(CHEMBL1927446)
Show SMILES Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H18N8O/c14-6-2-1-3-7-16-12-18-11(15)21-13(19-12)17-10(20-21)9-5-4-8-22-9/h4-5,8H,1-3,6-7,14H2,(H3,15,16,17,18,19,20)/p+1
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 90.1n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360187
PNG
(CHEMBL1927447)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31)
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 92.9n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360209
PNG
(CHEMBL1927436)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H20N8O2/c21-18-23-19(24-20-22-17(25-28(18)20)15-7-4-12-30-15)27-10-8-26(9-11-27)16(29)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,21,22,23,24,25)
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 94.8n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50151179
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 102n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360208
PNG
(CHEMBL1927435)
Show SMILES CCCCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O2/c1-2-3-6-13(26)23-7-9-24(10-8-23)16-20-15(18)25-17(21-16)19-14(22-25)12-5-4-11-27-12/h4-5,11H,2-3,6-10H2,1H3,(H2,18,19,20,21,22)
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 124n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360200
PNG
(CHEMBL1927424)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1
Show InChI InChI=1S/C12H14N8O/c13-10-16-11(19-5-3-14-4-6-19)17-12-15-9(18-20(10)12)8-2-1-7-21-8/h1-2,7,14H,3-6H2,(H2,13,15,16,17,18)/p+1
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 153n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360192
PNG
(CHEMBL1927632)
Show SMILES Nc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C8H7N7O/c9-6-12-7(10)15-8(13-6)11-5(14-15)4-2-1-3-16-4/h1-3H,(H4,9,10,11,12,13,14)
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 160n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360191
PNG
(CHEMBL1927631)
Show SMILES Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C8H6N6O2/c9-6-11-8(15)12-7-10-5(13-14(6)7)4-2-1-3-16-4/h1-3H,(H3,9,10,11,12,13,15)
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 201n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360212
PNG
(CHEMBL1927439)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N9O4/c20-17-22-18(23-19-21-15(24-27(17)19)14-2-1-11-32-14)26-9-7-25(8-10-26)16(29)12-3-5-13(6-4-12)28(30)31/h1-6,11H,7-10H2,(H2,20,21,22,23,24)
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 212n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50151179
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 220n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360185
PNG
(CHEMBL1927445)
Show SMILES Nc1nc(NCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C11H14N8O/c12-4-2-5-14-10-16-9(13)19-11(17-10)15-8(18-19)7-3-1-6-20-7/h1,3,6H,2,4-5,12H2,(H3,13,14,15,16,17,18)/p+1
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 270n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360211
PNG
(CHEMBL1927438)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(Cl)Cl
Show InChI InChI=1S/C14H14Cl2N8O2/c15-9(16)11(25)22-3-5-23(6-4-22)13-19-12(17)24-14(20-13)18-10(21-24)8-2-1-7-26-8/h1-2,7,9H,3-6H2,(H2,17,18,19,20,21)
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 282n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360202
PNG
(CHEMBL1927428)
Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23)
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 344n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360213
PNG
(CHEMBL1927440)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H18N8O2/c20-17-22-18(23-19-21-15(24-27(17)19)14-7-4-12-29-14)26-10-8-25(9-11-26)16(28)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,20,21,22,23,24)
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 348n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360183
PNG
(CHEMBL1926693)
Show SMILES Nc1nc(NCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C10H12N8O/c11-3-4-13-9-15-8(12)18-10(16-9)14-7(17-18)6-2-1-5-19-6/h1-2,5H,3-4,11H2,(H3,12,13,14,15,16,17)/p+1
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 567n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360205
PNG
(CHEMBL1927431)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H19FN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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 655n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360207
PNG
(CHEMBL1927433)
Show SMILES Nc1nc(NCCOCCOCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H20N8O3/c15-3-6-23-8-9-24-7-4-17-13-19-12(16)22-14(20-13)18-11(21-22)10-2-1-5-25-10/h1-2,5H,3-4,6-9,15H2,(H3,16,17,18,19,20,21)/p+1
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 769n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360203
PNG
(CHEMBL1927429)
Show SMILES CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H26N8O3/c1-18(2,3)29-17(27)21-10-6-4-5-9-20-15-23-14(19)26-16(24-15)22-13(25-26)12-8-7-11-28-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,27)(H3,19,20,22,23,24,25)
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 963n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50151183
PNG
(5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]tr...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)
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 978n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360181
PNG
(CHEMBL1927442)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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 991n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360190
PNG
(CHEMBL1927630)
Show SMILES O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C21H14N6O3/c28-18(14-8-3-1-4-9-14)23-20-25-21(30-15-10-5-2-6-11-15)24-19-22-17(26-27(19)20)16-12-7-13-29-16/h1-13H,(H,22,23,24,25,26,28)
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 1.00E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360197
PNG
(CHEMBL1927434)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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 1.01E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50360181
PNG
(CHEMBL1927442)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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 1.26E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [I125]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360184
PNG
(CHEMBL1927444)
Show SMILES Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 |(33.51,-20.77,;33.51,-22.31,;32.18,-23.08,;32.18,-24.63,;30.84,-25.4,;29.51,-24.62,;28.17,-25.39,;26.84,-24.61,;25.51,-25.37,;25.5,-26.91,;24.16,-27.67,;22.83,-26.89,;26.83,-27.69,;28.17,-26.92,;33.51,-25.4,;34.85,-24.63,;36.32,-25.11,;37.23,-23.85,;36.32,-22.6,;34.85,-23.08,;38.77,-23.85,;39.68,-22.61,;41.14,-23.08,;41.14,-24.62,;39.68,-25.1,)|
Show InChI InChI=1S/C16H22N8O/c17-8-10-3-5-11(6-4-10)9-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-25-12/h1-2,7,10-11H,3-6,8-9,17H2,(H3,18,19,20,21,22,23)/p+1
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 1.35E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360192
PNG
(CHEMBL1927632)
Show SMILES Nc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C8H7N7O/c9-6-12-7(10)15-8(13-6)11-5(14-15)4-2-1-3-16-4/h1-3H,(H4,9,10,11,12,13,14)
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 1.41E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50360196
PNG
(CHEMBL1927426)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C15H20N8O3/c1-15(2,3)26-14(24)18-7-6-17-12-20-11(16)23-13(21-12)19-10(22-23)9-5-4-8-25-9/h4-5,8H,6-7H2,1-3H3,(H,18,24)(H3,16,17,19,20,21,22)
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 1.49E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [I125]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50151201
PNG
(5-[4-(3-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-4-1-3-13(11-14)12-26-6-8-27(9-7-26)18-23-17(21)28-19(24-18)22-16(25-28)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H2,21,22,23,24,25)
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 1.51E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360204
PNG
(CHEMBL1927430)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H28N8O5/c1-19(2,3)32-18(28)22-7-10-30-12-11-29-9-6-21-16-24-15(20)27-17(25-16)23-14(26-27)13-5-4-8-31-13/h4-5,8H,6-7,9-12H2,1-3H3,(H,22,28)(H3,20,21,23,24,25,26)
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 1.58E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360193
PNG
(CHEMBL1927633)
Show SMILES O=C(Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C15H10N6O3/c22-12(9-5-2-1-3-6-9)17-14-19-15(23)18-13-16-11(20-21(13)14)10-7-4-8-24-10/h1-8H,(H2,16,17,18,19,20,22,23)
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 1.75E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360194
PNG
(CHEMBL1927634)
Show SMILES Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C15H11N7O2/c16-13-19-14-17-11(10-7-4-8-24-10)21-22(14)15(20-13)18-12(23)9-5-2-1-3-6-9/h1-8H,(H3,16,17,18,19,20,21,23)
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 1.80E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360199
PNG
(CHEMBL1927423)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
Show InChI InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
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 1.94E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360186
PNG
(CHEMBL1927446)
Show SMILES Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H18N8O/c14-6-2-1-3-7-16-12-18-11(15)21-13(19-12)17-10(20-21)9-5-4-8-22-9/h4-5,8H,1-3,6-7,14H2,(H3,15,16,17,18,19,20)/p+1
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 2.95E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50360197
PNG
(CHEMBL1927434)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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 3.10E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [I125]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360191
PNG
(CHEMBL1927631)
Show SMILES Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C8H6N6O2/c9-6-11-8(15)12-7-10-5(13-14(6)7)4-2-1-3-16-4/h1-3H,(H3,9,10,11,12,13,15)
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 3.11E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360209
PNG
(CHEMBL1927436)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H20N8O2/c21-18-23-19(24-20-22-17(25-28(18)20)15-7-4-12-30-15)27-10-8-26(9-11-27)16(29)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,21,22,23,24,25)
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 3.51E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360196
PNG
(CHEMBL1927426)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C15H20N8O3/c1-15(2,3)26-14(24)18-7-6-17-12-20-11(16)23-13(21-12)19-10(22-23)9-5-4-8-25-9/h4-5,8H,6-7H2,1-3H3,(H,18,24)(H3,16,17,19,20,21,22)
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 3.73E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360201
PNG
(CHEMBL1927427)
Show SMILES CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)|
Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28)
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 3.89E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360195
PNG
(CHEMBL1927425)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(NCCNC(=O)OC(C)(C)C)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C22H33N9O5/c1-21(2,3)35-19(32)25-11-9-23-16-28-17(24-10-12-26-20(33)36-22(4,5)6)31-18(29-16)27-15(30-31)14-8-7-13-34-14/h7-8,13H,9-12H2,1-6H3,(H,25,32)(H,26,33)(H2,23,24,27,28,29,30)
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 4.36E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360198
PNG
(CHEMBL1927422)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O3/c1-17(2,3)28-16(26)24-8-6-23(7-9-24)14-20-13(18)25-15(21-14)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
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 5.40E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50360187
PNG
(CHEMBL1927447)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31)
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 7.47E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360180
PNG
(CHEMBL1927441)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N8O2/c24-21-26-22(27-23-25-19(28-31(21)23)18-9-4-14-33-18)30-12-10-29(11-13-30)20(32)17-8-3-6-15-5-1-2-7-16(15)17/h1-9,14H,10-13H2,(H2,24,25,26,27,28)
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 7.68E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50360195
PNG
(CHEMBL1927425)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(NCCNC(=O)OC(C)(C)C)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C22H33N9O5/c1-21(2,3)35-19(32)25-11-9-23-16-28-17(24-10-12-26-20(33)36-22(4,5)6)31-18(29-16)27-15(30-31)14-8-7-13-34-14/h7-8,13H,9-12H2,1-6H3,(H,25,32)(H,26,33)(H2,23,24,27,28,29,30)
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 8.49E+3n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [I125]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50360182
PNG
(CHEMBL1927443)
Show SMILES [NH3+]CCNc1nc(NCC[NH3+])n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C12H17N9O/c13-3-5-15-10-18-11(16-6-4-14)21-12(19-10)17-9(20-21)8-2-1-7-22-8/h1-2,7H,3-6,13-14H2,(H2,15,16,17,18,19,20)/p+2
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 3.82E+4n/an/an/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360194
PNG
(CHEMBL1927634)
Show SMILES Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C15H11N7O2/c16-13-19-14-17-11(10-7-4-8-24-10)21-22(14)15(20-13)18-12(23)9-5-2-1-3-6-9/h1-8H,(H3,16,17,18,19,20,21,23)
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n/an/a 7.06E+3n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360201
PNG
(CHEMBL1927427)
Show SMILES CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)|
Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)32-20(30)24-12-14-8-6-13(7-9-14)11-23-18-26-17(22)29-19(27-18)25-16(28-29)15-5-4-10-31-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,30)(H3,22,23,25,26,27,28)
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n/an/a 7.14E+3n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360203
PNG
(CHEMBL1927429)
Show SMILES CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H26N8O3/c1-18(2,3)29-17(27)21-10-6-4-5-9-20-15-23-14(19)26-16(24-15)22-13(25-26)12-8-7-11-28-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,27)(H3,19,20,22,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360196
PNG
(CHEMBL1927426)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C15H20N8O3/c1-15(2,3)26-14(24)18-7-6-17-12-20-11(16)23-13(21-12)19-10(22-23)9-5-4-8-25-9/h4-5,8H,6-7H2,1-3H3,(H,18,24)(H3,16,17,19,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360186
PNG
(CHEMBL1927446)
Show SMILES Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H18N8O/c14-6-2-1-3-7-16-12-18-11(15)21-13(19-12)17-10(20-21)9-5-4-8-22-9/h4-5,8H,1-3,6-7,14H2,(H3,15,16,17,18,19,20)/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360191
PNG
(CHEMBL1927631)
Show SMILES Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C8H6N6O2/c9-6-11-8(15)12-7-10-5(13-14(6)7)4-2-1-3-16-4/h1-3H,(H3,9,10,11,12,13,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360206
PNG
(CHEMBL1927432)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C19H19BrN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360198
PNG
(CHEMBL1927422)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O3/c1-17(2,3)28-16(26)24-8-6-23(7-9-24)14-20-13(18)25-15(21-14)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360207
PNG
(CHEMBL1927433)
Show SMILES Nc1nc(NCCOCCOCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H20N8O3/c15-3-6-23-8-9-24-7-4-17-13-19-12(16)22-14(20-13)18-11(21-22)10-2-1-5-25-10/h1-2,5H,3-4,6-9,15H2,(H3,16,17,18,19,20,21)/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360204
PNG
(CHEMBL1927430)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C19H28N8O5/c1-19(2,3)32-18(28)22-7-10-30-12-11-29-9-6-21-16-24-15(20)27-17(25-16)23-14(26-27)13-5-4-8-31-13/h4-5,8H,6-7,9-12H2,1-3H3,(H,22,28)(H3,20,21,23,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360205
PNG
(CHEMBL1927431)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H19FN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360190
PNG
(CHEMBL1927630)
Show SMILES O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C21H14N6O3/c28-18(14-8-3-1-4-9-14)23-20-25-21(30-15-10-5-2-6-11-15)24-19-22-17(26-27(19)20)16-12-7-13-29-16/h1-13H,(H,22,23,24,25,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360184
PNG
(CHEMBL1927444)
Show SMILES Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 |(33.51,-20.77,;33.51,-22.31,;32.18,-23.08,;32.18,-24.63,;30.84,-25.4,;29.51,-24.62,;28.17,-25.39,;26.84,-24.61,;25.51,-25.37,;25.5,-26.91,;24.16,-27.67,;22.83,-26.89,;26.83,-27.69,;28.17,-26.92,;33.51,-25.4,;34.85,-24.63,;36.32,-25.11,;37.23,-23.85,;36.32,-22.6,;34.85,-23.08,;38.77,-23.85,;39.68,-22.61,;41.14,-23.08,;41.14,-24.62,;39.68,-25.1,)|
Show InChI InChI=1S/C16H22N8O/c17-8-10-3-5-11(6-4-10)9-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-25-12/h1-2,7,10-11H,3-6,8-9,17H2,(H3,18,19,20,21,22,23)/p+1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360192
PNG
(CHEMBL1927632)
Show SMILES Nc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C8H7N7O/c9-6-12-7(10)15-8(13-6)11-5(14-15)4-2-1-3-16-4/h1-3H,(H4,9,10,11,12,13,14)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360202
PNG
(CHEMBL1927428)
Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23)
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n/an/a 2.06E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360200
PNG
(CHEMBL1927424)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1
Show InChI InChI=1S/C12H14N8O/c13-10-16-11(19-5-3-14-4-6-19)17-12-15-9(18-20(10)12)8-2-1-7-21-8/h1-2,7,14H,3-6H2,(H2,13,15,16,17,18)/p+1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50151183
PNG
(5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]tr...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20N8O/c20-17-22-18(23-19-21-16(24-27(17)19)15-7-4-12-28-15)26-10-8-25(9-11-26)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,20,21,22,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360197
PNG
(CHEMBL1927434)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360185
PNG
(CHEMBL1927445)
Show SMILES Nc1nc(NCCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C11H14N8O/c12-4-2-5-14-10-16-9(13)19-11(17-10)15-8(18-19)7-3-1-6-20-7/h1,3,6H,2,4-5,12H2,(H3,13,14,15,16,17,18)/p+1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50151179
PNG
(5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50151201
PNG
(5-[4-(3-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-y...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H19ClN8O/c20-14-4-1-3-13(11-14)12-26-6-8-27(9-7-26)18-23-17(21)28-19(24-18)22-16(25-28)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H2,21,22,23,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360199
PNG
(CHEMBL1927423)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
Show InChI InChI=1S/C12H13N7O/c13-10-15-11(18-5-1-2-6-18)16-12-14-9(17-19(10)12)8-4-3-7-20-8/h3-4,7H,1-2,5-6H2,(H2,13,14,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360182
PNG
(CHEMBL1927443)
Show SMILES [NH3+]CCNc1nc(NCC[NH3+])n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C12H17N9O/c13-3-5-15-10-18-11(16-6-4-14)21-12(19-10)17-9(20-21)8-2-1-7-22-8/h1-2,7H,3-6,13-14H2,(H2,15,16,17,18,19,20)/p+2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360181
PNG
(CHEMBL1927442)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN8O2/c21-14-5-3-13(4-6-14)12-16(30)27-7-9-28(10-8-27)19-24-18(22)29-20(25-19)23-17(26-29)15-2-1-11-31-15/h1-6,11H,7-10,12H2,(H2,22,23,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360210
PNG
(CHEMBL1927437)
Show SMILES COC(=O)CCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H20N8O4/c1-28-13(27)5-4-12(26)23-6-8-24(9-7-23)16-20-15(18)25-17(21-16)19-14(22-25)11-3-2-10-29-11/h2-3,10H,4-9H2,1H3,(H2,18,19,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360208
PNG
(CHEMBL1927435)
Show SMILES CCCCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O2/c1-2-3-6-13(26)23-7-9-24(10-8-23)16-20-15(18)25-17(21-16)19-14(22-25)12-5-4-11-27-12/h4-5,11H,2-3,6-10H2,1H3,(H2,18,19,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360195
PNG
(CHEMBL1927425)
Show SMILES CC(C)(C)OC(=O)NCCNc1nc(NCCNC(=O)OC(C)(C)C)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C22H33N9O5/c1-21(2,3)35-19(32)25-11-9-23-16-28-17(24-10-12-26-20(33)36-22(4,5)6)31-18(29-16)27-15(30-31)14-8-7-13-34-14/h7-8,13H,9-12H2,1-6H3,(H,25,32)(H,26,33)(H2,23,24,27,28,29,30)
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Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360213
PNG
(CHEMBL1927440)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H18N8O2/c20-17-22-18(23-19-21-15(24-27(17)19)14-7-4-12-29-14)26-10-8-25(9-11-26)16(28)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,20,21,22,23,24)
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Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360209
PNG
(CHEMBL1927436)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H20N8O2/c21-18-23-19(24-20-22-17(25-28(18)20)15-7-4-12-30-15)27-10-8-26(9-11-27)16(29)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,21,22,23,24,25)
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Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360188
PNG
(CHEMBL1927628)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C17H22N8O2/c1-17(2,3)13(26)23-6-8-24(9-7-23)15-20-14(18)25-16(21-15)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360183
PNG
(CHEMBL1926693)
Show SMILES Nc1nc(NCC[NH3+])nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C10H12N8O/c11-3-4-13-9-15-8(12)18-10(16-9)14-7(17-18)6-2-1-5-19-6/h1-2,5H,3-4,11H2,(H3,12,13,14,15,16,17)/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360180
PNG
(CHEMBL1927441)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N8O2/c24-21-26-22(27-23-25-19(28-31(21)23)18-9-4-14-33-18)30-12-10-29(11-13-30)20(32)17-8-3-6-15-5-1-2-7-16(15)17/h1-9,14H,10-13H2,(H2,24,25,26,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360212
PNG
(CHEMBL1927439)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N9O4/c20-17-22-18(23-19-21-15(24-27(17)19)14-2-1-11-32-14)26-9-7-25(8-10-26)16(29)12-3-5-13(6-4-12)28(30)31/h1-6,11H,7-10H2,(H2,20,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360193
PNG
(CHEMBL1927633)
Show SMILES O=C(Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C15H10N6O3/c22-12(9-5-2-1-3-6-9)17-14-19-15(23)18-13-16-11(20-21(13)14)10-7-4-8-24-10/h1-8H,(H2,16,17,18,19,20,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360189
PNG
(CHEMBL1927629)
Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C18H24N8O2/c1-18(2,3)11-13(27)24-6-8-25(9-7-24)16-21-15(19)26-17(22-16)20-14(23-26)12-5-4-10-28-12/h4-5,10H,6-9,11H2,1-3H3,(H2,19,20,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360211
PNG
(CHEMBL1927438)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(Cl)Cl
Show InChI InChI=1S/C14H14Cl2N8O2/c15-9(16)11(25)22-3-5-23(6-4-22)13-19-12(17)24-14(20-13)18-10(21-24)8-2-1-7-26-8/h1-2,7,9H,3-6H2,(H2,17,18,19,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50360187
PNG
(CHEMBL1927447)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N8O2/c27-24-29-25(30-26-28-22(31-34(24)26)20-12-7-17-36-20)33-15-13-32(14-16-33)23(35)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H2,27,28,29,30,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Trieste

Curated by ChEMBL


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

J Med Chem 54: (2011)


Article DOI: 10.1021/jm101349u
BindingDB Entry DOI: 10.7270/Q2445MXP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%