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PubMed code 22204739

Compile data set for download or QSAR
Found 136 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0400n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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0.290n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361325
PNG
(CHEMBL1935752)
Show SMILES Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-8-6(5-13-17)14-11(12)18-10(8)15-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361318
PNG
(CHEMBL1935745)
Show SMILES Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21)
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3.90n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361318
PNG
(CHEMBL1935745)
Show SMILES Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21)
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4.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361306
PNG
(CHEMBL1935762)
Show SMILES Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)
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4.90n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361307
PNG
(CHEMBL1935763)
Show SMILES Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-21-14-12-25(10-4-8-13-6-2-1-3-7-13)23-16(14)18-22-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,21)
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7.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361304
PNG
(CHEMBL1935760)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13)
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8.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361306
PNG
(CHEMBL1935762)
Show SMILES Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)
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9.20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361321
PNG
(CHEMBL1935748)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30)
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10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361325
PNG
(CHEMBL1935752)
Show SMILES Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-8-6(5-13-17)14-11(12)18-10(8)15-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)
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10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361307
PNG
(CHEMBL1935763)
Show SMILES Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-21-14-12-25(10-4-8-13-6-2-1-3-7-13)23-16(14)18-22-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,21)
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11n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361322
PNG
(CHEMBL1935749)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H23N7O3/c1-36-20-11-9-19(10-12-20)28-27(35)31-26-29-22-17-33(14-13-18-6-3-2-4-7-18)16-21(22)25-30-24(32-34(25)26)23-8-5-15-37-23/h2-12,15-17H,13-14H2,1H3,(H2,28,29,31,35)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361312
PNG
(CHEMBL1935768)
Show SMILES Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C17H19N7O/c1-23-14-12(10-18-23)20-17(19-11-6-3-2-4-7-11)24-16(14)21-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,20)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361326
PNG
(CHEMBL1935753)
Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361323
PNG
(CHEMBL1935750)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C28H25N7O3/c1-37-21-13-11-20(12-14-21)29-28(36)32-27-30-23-18-34(15-5-9-19-7-3-2-4-8-19)17-22(23)26-31-25(33-35(26)27)24-10-6-16-38-24/h2-4,6-8,10-14,16-18H,5,9,15H2,1H3,(H2,29,30,32,36)
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13n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361326
PNG
(CHEMBL1935753)
Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)
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14n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361320
PNG
(CHEMBL1935747)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H17N7O3/c1-26-10-14-15(11-26)22-19(24-20(28)21-12-5-7-13(29-2)8-6-12)27-18(14)23-17(25-27)16-4-3-9-30-16/h3-11H,1-2H3,(H2,21,22,24,28)
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15n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361305
PNG
(CHEMBL1935761)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
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17n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361319
PNG
(CHEMBL1935746)
Show SMILES Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22)
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18n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361330
PNG
(CHEMBL1935757)
Show SMILES CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30)
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20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361316
PNG
(CHEMBL1935743)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,1H3,(H2,13,14)
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20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361305
PNG
(CHEMBL1935761)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
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22n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
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30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361304
PNG
(CHEMBL1935760)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13)
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30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361327
PNG
(CHEMBL1935754)
Show SMILES Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)
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33n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
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35n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361327
PNG
(CHEMBL1935754)
Show SMILES Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)
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42n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361316
PNG
(CHEMBL1935743)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,1H3,(H2,13,14)
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50n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361319
PNG
(CHEMBL1935746)
Show SMILES Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22)
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50n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361309
PNG
(CHEMBL1935765)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)19-24-18(16-5-4-11-32-16)27-29(19)20(23-15)25-21(30)22-13-6-8-14(31-2)9-7-13/h4-9,11-12H,3,10H2,1-2H3,(H2,22,23,25,30)
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50n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
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55n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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60n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361329
PNG
(CHEMBL1935756)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28)
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61n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361330
PNG
(CHEMBL1935757)
Show SMILES CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30)
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61n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361329
PNG
(CHEMBL1935756)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28)
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68n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361326
PNG
(CHEMBL1935753)
Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)
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83n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361328
PNG
(CHEMBL1935755)
Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)
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85n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361316
PNG
(CHEMBL1935743)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,1H3,(H2,13,14)
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100n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361308
PNG
(CHEMBL1935764)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)17-22-16(14-4-3-9-30-14)25-27(17)18(21-13)23-19(28)20-11-5-7-12(29-2)8-6-11/h3-10H,1-2H3,(H2,20,21,23,28)
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110n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361324
PNG
(CHEMBL1935751)
Show SMILES Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-9-12-13(10-25)21-17(23-18(27)20-11-4-6-19-7-5-11)26-16(12)22-15(24-26)14-3-2-8-28-14/h2-10H,1H3,(H2,19,20,21,23,27)
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111n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361312
PNG
(CHEMBL1935768)
Show SMILES Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C17H19N7O/c1-23-14-12(10-18-23)20-17(19-11-6-3-2-4-7-11)24-16(14)21-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,20)
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119n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361328
PNG
(CHEMBL1935755)
Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)
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122n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361318
PNG
(CHEMBL1935745)
Show SMILES Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21)
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124n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361304
PNG
(CHEMBL1935760)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13)
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125n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361329
PNG
(CHEMBL1935756)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28)
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129n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361323
PNG
(CHEMBL1935750)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C28H25N7O3/c1-37-21-13-11-20(12-14-21)29-28(36)32-27-30-23-18-34(15-5-9-19-7-3-2-4-8-19)17-22(23)26-31-25(33-35(26)27)24-10-6-16-38-24/h2-4,6-8,10-14,16-18H,5,9,15H2,1H3,(H2,29,30,32,36)
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130n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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140n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 58261 from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361322
PNG
(CHEMBL1935749)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H23N7O3/c1-36-20-11-9-19(10-12-20)28-27(35)31-26-29-22-17-33(14-13-18-6-3-2-4-7-18)16-21(22)25-30-24(32-34(25)26)23-8-5-15-37-23/h2-12,15-17H,13-14H2,1H3,(H2,28,29,31,35)
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148n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361330
PNG
(CHEMBL1935757)
Show SMILES CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30)
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161n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361322
PNG
(CHEMBL1935749)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H23N7O3/c1-36-20-11-9-19(10-12-20)28-27(35)31-26-29-22-17-33(14-13-18-6-3-2-4-7-18)16-21(22)25-30-24(32-34(25)26)23-8-5-15-37-23/h2-12,15-17H,13-14H2,1H3,(H2,28,29,31,35)
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178n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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200n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361321
PNG
(CHEMBL1935748)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30)
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200n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361302
PNG
(CHEMBL1935758)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)28-26(35)31-25-29-20-16-27-33(14-13-17-6-3-2-4-7-17)22(20)24-30-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,28,29,31,35)
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208n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361309
PNG
(CHEMBL1935765)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)19-24-18(16-5-4-11-32-16)27-29(19)20(23-15)25-21(30)22-13-6-8-14(31-2)9-7-13/h4-9,11-12H,3,10H2,1-2H3,(H2,22,23,25,30)
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208n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361323
PNG
(CHEMBL1935750)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C28H25N7O3/c1-37-21-13-11-20(12-14-21)29-28(36)32-27-30-23-18-34(15-5-9-19-7-3-2-4-8-19)17-22(23)26-31-25(33-35(26)27)24-10-6-16-38-24/h2-4,6-8,10-14,16-18H,5,9,15H2,1H3,(H2,29,30,32,36)
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210n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361308
PNG
(CHEMBL1935764)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)17-22-16(14-4-3-9-30-14)25-27(17)18(21-13)23-19(28)20-11-5-7-12(29-2)8-6-11/h3-10H,1-2H3,(H2,20,21,23,28)
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222n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361309
PNG
(CHEMBL1935765)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)19-24-18(16-5-4-11-32-16)27-29(19)20(23-15)25-21(30)22-13-6-8-14(31-2)9-7-13/h4-9,11-12H,3,10H2,1-2H3,(H2,22,23,25,30)
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240n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361319
PNG
(CHEMBL1935746)
Show SMILES Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22)
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241n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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250n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361310
PNG
(CHEMBL1935766)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-28-20-16-33(14-13-17-6-3-2-4-7-17)31-22(20)24-29-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,28,30,35)
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314n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361306
PNG
(CHEMBL1935762)
Show SMILES Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)
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315n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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350n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361324
PNG
(CHEMBL1935751)
Show SMILES Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-9-12-13(10-25)21-17(23-18(27)20-11-4-6-19-7-5-11)26-16(12)22-15(24-26)14-3-2-8-28-14/h2-10H,1H3,(H2,19,20,21,23,27)
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355n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361305
PNG
(CHEMBL1935761)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
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432n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361320
PNG
(CHEMBL1935747)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H17N7O3/c1-26-10-14-15(11-26)22-19(24-20(28)21-12-5-7-13(29-2)8-6-12)27-18(14)23-17(25-27)16-4-3-9-30-16/h3-11H,1-2H3,(H2,21,22,24,28)
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500n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361312
PNG
(CHEMBL1935768)
Show SMILES Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C17H19N7O/c1-23-14-12(10-18-23)20-17(19-11-6-3-2-4-7-11)24-16(14)21-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,20)
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507n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361302
PNG
(CHEMBL1935758)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)28-26(35)31-25-29-20-16-27-33(14-13-17-6-3-2-4-7-17)22(20)24-30-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,28,29,31,35)
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524n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361307
PNG
(CHEMBL1935763)
Show SMILES Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-21-14-12-25(10-4-8-13-6-2-1-3-7-13)23-16(14)18-22-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,21)
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526n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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549n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361327
PNG
(CHEMBL1935754)
Show SMILES Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)
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603n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361302
PNG
(CHEMBL1935758)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)28-26(35)31-25-29-20-16-27-33(14-13-17-6-3-2-4-7-17)22(20)24-30-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,28,29,31,35)
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626n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361310
PNG
(CHEMBL1935766)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-28-20-16-33(14-13-17-6-3-2-4-7-17)31-22(20)24-29-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,28,30,35)
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672n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361321
PNG
(CHEMBL1935748)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30)
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743n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361325
PNG
(CHEMBL1935752)
Show SMILES Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-8-6(5-13-17)14-11(12)18-10(8)15-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)
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749n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361310
PNG
(CHEMBL1935766)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-28-20-16-33(14-13-17-6-3-2-4-7-17)31-22(20)24-29-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,28,30,35)
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753n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361320
PNG
(CHEMBL1935747)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H17N7O3/c1-26-10-14-15(11-26)22-19(24-20(28)21-12-5-7-13(29-2)8-6-12)27-18(14)23-17(25-27)16-4-3-9-30-16/h3-11H,1-2H3,(H2,21,22,24,28)
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800n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361328
PNG
(CHEMBL1935755)
Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)
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802n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361311
PNG
(CHEMBL1935767)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-29-21-17-34(15-5-9-18-7-3-2-4-8-18)32-23(21)25-30-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,29,31,36)
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815n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361308
PNG
(CHEMBL1935764)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)17-22-16(14-4-3-9-30-14)25-27(17)18(21-13)23-19(28)20-11-5-7-12(29-2)8-6-11/h3-10H,1-2H3,(H2,20,21,23,28)
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923n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361303
PNG
(CHEMBL1935759)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)29-27(36)32-26-30-21-17-28-34(15-5-9-18-7-3-2-4-8-18)23(21)25-31-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,29,30,32,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361314
PNG
(CHEMBL1935770)
Show SMILES CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H18N8O/c1-21-5-7-23(8-6-21)16-18-11-10-17-22(2)13(11)15-19-14(20-24(15)16)12-4-3-9-25-12/h3-4,9-10H,5-8H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361313
PNG
(CHEMBL1935769)
Show SMILES Cn1ncc2nc(N3CCOCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361315
PNG
(CHEMBL1935771)
Show SMILES Cn1ncc2nc(N3CCN(CC3)c3ccccc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O/c1-26-18-16(14-22-26)23-21(29-20(18)24-19(25-29)17-8-5-13-30-17)28-11-9-27(10-12-28)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361303
PNG
(CHEMBL1935759)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)29-27(36)32-26-30-21-17-28-34(15-5-9-18-7-3-2-4-8-18)23(21)25-31-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,29,30,32,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361315
PNG
(CHEMBL1935771)
Show SMILES Cn1ncc2nc(N3CCN(CC3)c3ccccc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O/c1-26-18-16(14-22-26)23-21(29-20(18)24-19(25-29)17-8-5-13-30-17)28-11-9-27(10-12-28)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361311
PNG
(CHEMBL1935767)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-29-21-17-34(15-5-9-18-7-3-2-4-8-18)32-23(21)25-30-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,29,31,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361303
PNG
(CHEMBL1935759)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)29-27(36)32-26-30-21-17-28-34(15-5-9-18-7-3-2-4-8-18)23(21)25-31-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,29,30,32,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361314
PNG
(CHEMBL1935770)
Show SMILES CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H18N8O/c1-21-5-7-23(8-6-21)16-18-11-10-17-22(2)13(11)15-19-14(20-24(15)16)12-4-3-9-25-12/h3-4,9-10H,5-8H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361315
PNG
(CHEMBL1935771)
Show SMILES Cn1ncc2nc(N3CCN(CC3)c3ccccc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O/c1-26-18-16(14-22-26)23-21(29-20(18)24-19(25-29)17-8-5-13-30-17)28-11-9-27(10-12-28)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361311
PNG
(CHEMBL1935767)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-29-21-17-34(15-5-9-18-7-3-2-4-8-18)32-23(21)25-30-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,29,31,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361313
PNG
(CHEMBL1935769)
Show SMILES Cn1ncc2nc(N3CCOCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361314
PNG
(CHEMBL1935770)
Show SMILES CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H18N8O/c1-21-5-7-23(8-6-21)16-18-11-10-17-22(2)13(11)15-19-14(20-24(15)16)12-4-3-9-25-12/h3-4,9-10H,5-8H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50361313
PNG
(CHEMBL1935769)
Show SMILES Cn1ncc2nc(N3CCOCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50361324
PNG
(CHEMBL1935751)
Show SMILES Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-9-12-13(10-25)21-17(23-18(27)20-11-4-6-19-7-5-11)26-16(12)22-15(24-26)14-3-2-8-28-14/h2-10H,1H3,(H2,19,20,21,23,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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2.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361306
PNG
(CHEMBL1935762)
Show SMILES Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)
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n/an/a 27n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361325
PNG
(CHEMBL1935752)
Show SMILES Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-8-6(5-13-17)14-11(12)18-10(8)15-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)
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n/an/a 31n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361330
PNG
(CHEMBL1935757)
Show SMILES CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-17-15(12-22-28)24-20(26-21(30)23-13-6-8-14(31-2)9-7-13)29-19(17)25-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,23,24,26,30)
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n/an/a 32n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361307
PNG
(CHEMBL1935763)
Show SMILES Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-21-14-12-25(10-4-8-13-6-2-1-3-7-13)23-16(14)18-22-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,21)
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n/an/a 32n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361304
PNG
(CHEMBL1935760)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)10-14-9(7-3-2-4-19-7)16-18(10)11(12)13-6/h2-5H,1H3,(H2,12,13)
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n/an/a 33n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361326
PNG
(CHEMBL1935753)
Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)
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n/an/a 40n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361316
PNG
(CHEMBL1935743)
Show SMILES Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C12H10N6O/c1-17-5-7-8(6-17)14-12(13)18-11(7)15-10(16-18)9-3-2-4-19-9/h2-6H,1H3,(H2,13,14)
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n/an/a 42n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361305
PNG
(CHEMBL1935761)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
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n/an/a 45n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361318
PNG
(CHEMBL1935745)
Show SMILES Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H16N6O/c20-19-21-15-12-24(9-8-13-5-2-1-3-6-13)11-14(15)18-22-17(23-25(18)19)16-7-4-10-26-16/h1-7,10-12H,8-9H2,(H2,20,21)
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n/an/a 46n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361321
PNG
(CHEMBL1935748)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30)
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n/an/a 50n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP prod...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361320
PNG
(CHEMBL1935747)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H17N7O3/c1-26-10-14-15(11-26)22-19(24-20(28)21-12-5-7-13(29-2)8-6-12)27-18(14)23-17(25-27)16-4-3-9-30-16/h3-11H,1-2H3,(H2,21,22,24,28)
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n/an/a 75n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP prod...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361317
PNG
(CHEMBL1935744)
Show SMILES CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H14N6O/c1-2-5-19-7-9-10(8-19)16-14(15)20-13(9)17-12(18-20)11-4-3-6-21-11/h3-4,6-8H,2,5H2,1H3,(H2,15,16)
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n/an/a 90n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361329
PNG
(CHEMBL1935756)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-15-13(10-20-26)22-18(24-19(28)21-11-5-7-12(29-2)8-6-11)27-17(15)23-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,21,22,24,28)
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n/an/a 122n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361309
PNG
(CHEMBL1935765)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)19-24-18(16-5-4-11-32-16)27-29(19)20(23-15)25-21(30)22-13-6-8-14(31-2)9-7-13/h4-9,11-12H,3,10H2,1-2H3,(H2,22,23,25,30)
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n/an/a 250n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP prod...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361319
PNG
(CHEMBL1935746)
Show SMILES Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H18N6O/c21-20-22-16-13-25(10-4-8-14-6-2-1-3-7-14)12-15(16)19-23-18(24-26(19)20)17-9-5-11-27-17/h1-3,5-7,9,11-13H,4,8,10H2,(H2,21,22)
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n/an/a 251n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361327
PNG
(CHEMBL1935754)
Show SMILES Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-21-13-11-20-24(9-8-12-5-2-1-3-6-12)15(13)17-22-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)
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n/an/a 319n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50361326
PNG
(CHEMBL1935753)
Show SMILES CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-10-8(7-15-19)16-13(14)20-12(10)17-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16)
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n/an/a 500n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP prod...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361310
PNG
(CHEMBL1935766)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-28-20-16-33(14-13-17-6-3-2-4-7-17)31-22(20)24-29-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,28,30,35)
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n/an/a 548n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361308
PNG
(CHEMBL1935764)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)17-22-16(14-4-3-9-30-14)25-27(17)18(21-13)23-19(28)20-11-5-7-12(29-2)8-6-11/h3-10H,1-2H3,(H2,20,21,23,28)
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n/an/a 580n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361328
PNG
(CHEMBL1935755)
Show SMILES Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-22-14-12-21-25(10-4-8-13-6-2-1-3-7-13)16(14)18-23-17(24-26(18)19)15-9-5-11-27-15/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)
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n/an/a 595n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361322
PNG
(CHEMBL1935749)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H23N7O3/c1-36-20-11-9-19(10-12-20)28-27(35)31-26-29-22-17-33(14-13-18-6-3-2-4-7-18)16-21(22)25-30-24(32-34(25)26)23-8-5-15-37-23/h2-12,15-17H,13-14H2,1H3,(H2,28,29,31,35)
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n/an/a 740n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361302
PNG
(CHEMBL1935758)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)28-26(35)31-25-29-20-16-27-33(14-13-17-6-3-2-4-7-17)22(20)24-30-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,28,29,31,35)
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n/an/a 772n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361320
PNG
(CHEMBL1935747)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H17N7O3/c1-26-10-14-15(11-26)22-19(24-20(28)21-12-5-7-13(29-2)8-6-12)27-18(14)23-17(25-27)16-4-3-9-30-16/h3-11H,1-2H3,(H2,21,22,24,28)
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n/an/a 838n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361309
PNG
(CHEMBL1935765)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)19-24-18(16-5-4-11-32-16)27-29(19)20(23-15)25-21(30)22-13-6-8-14(31-2)9-7-13/h4-9,11-12H,3,10H2,1-2H3,(H2,22,23,25,30)
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n/an/a 863n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361321
PNG
(CHEMBL1935748)
Show SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30)
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n/an/a 906n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361312
PNG
(CHEMBL1935768)
Show SMILES Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C17H19N7O/c1-23-14-12(10-18-23)20-17(19-11-6-3-2-4-7-11)24-16(14)21-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,20)
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n/an/a 915n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361311
PNG
(CHEMBL1935767)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-29-21-17-34(15-5-9-18-7-3-2-4-8-18)32-23(21)25-30-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,29,31,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361323
PNG
(CHEMBL1935750)
Show SMILES COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C28H25N7O3/c1-37-21-13-11-20(12-14-21)29-28(36)32-27-30-23-18-34(15-5-9-19-7-3-2-4-8-19)17-22(23)26-31-25(33-35(26)27)24-10-6-16-38-24/h2-4,6-8,10-14,16-18H,5,9,15H2,1H3,(H2,29,30,32,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361315
PNG
(CHEMBL1935771)
Show SMILES Cn1ncc2nc(N3CCN(CC3)c3ccccc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H20N8O/c1-26-18-16(14-22-26)23-21(29-20(18)24-19(25-29)17-8-5-13-30-17)28-11-9-27(10-12-28)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361324
PNG
(CHEMBL1935751)
Show SMILES Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-9-12-13(10-25)21-17(23-18(27)20-11-4-6-19-7-5-11)26-16(12)22-15(24-26)14-3-2-8-28-14/h2-10H,1H3,(H2,19,20,21,23,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361303
PNG
(CHEMBL1935759)
Show SMILES COc1ccc(NC(=O)Nc2nc3cnn(CCCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)29-27(36)32-26-30-21-17-28-34(15-5-9-18-7-3-2-4-8-18)23(21)25-31-24(33-35(25)26)22-10-6-16-38-22/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,29,30,32,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361314
PNG
(CHEMBL1935770)
Show SMILES CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H18N8O/c1-21-5-7-23(8-6-21)16-18-11-10-17-22(2)13(11)15-19-14(20-24(15)16)12-4-3-9-25-12/h3-4,9-10H,5-8H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50361313
PNG
(CHEMBL1935769)
Show SMILES Cn1ncc2nc(N3CCOCC3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C15H15N7O2/c1-20-12-10(9-16-20)17-15(21-4-7-23-8-5-21)22-14(12)18-13(19-22)11-3-2-6-24-11/h2-3,6,9H,4-5,7-8H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition prot...


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%