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PubMed code 27933962

Compile data set for download or QSAR
Found 89 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 A1


(Homo sapiens (human))
BDBM50211095
PNG
(CHEMBL3917647)
Show SMILES Nc1nc(NCCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-5-2-8-24-12)22-17(21-14)19-7-6-10-3-1-4-11(23)9-10/h1-5,8-9,23H,6-7H2,(H3,18,19,21,22)
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0.230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211089
PNG
(CHEMBL3913413)
Show SMILES Nc1nc(NCc2cccc(F)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22)
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0.820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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0.910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211082
PNG
(CHEMBL3907658)
Show SMILES COc1cccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23)
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0.920n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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0.930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211087
PNG
(CHEMBL3958838)
Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211093
PNG
(CHEMBL3984266)
Show SMILES CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211078
PNG
(CHEMBL3904408)
Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211089
PNG
(CHEMBL3913413)
Show SMILES Nc1nc(NCc2cccc(F)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211095
PNG
(CHEMBL3917647)
Show SMILES Nc1nc(NCCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-5-2-8-24-12)22-17(21-14)19-7-6-10-3-1-4-11(23)9-10/h1-5,8-9,23H,6-7H2,(H3,18,19,21,22)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211082
PNG
(CHEMBL3907658)
Show SMILES COc1cccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211090
PNG
(CHEMBL3963278)
Show SMILES CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211094
PNG
(CHEMBL3950142)
Show SMILES Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5OS/c17-13-12-15(23-14(19-12)11-7-4-8-22-11)21-16(20-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,17,18,20,21)
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22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211093
PNG
(CHEMBL3984266)
Show SMILES CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211088
PNG
(CHEMBL3935610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5OS/c18-14-13-16(24-15(20-13)12-7-4-10-23-12)22-17(21-14)19-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H3,18,19,21,22)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211088
PNG
(CHEMBL3935610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5OS/c18-14-13-16(24-15(20-13)12-7-4-10-23-12)22-17(21-14)19-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H3,18,19,21,22)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211090
PNG
(CHEMBL3963278)
Show SMILES CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211089
PNG
(CHEMBL3913413)
Show SMILES Nc1nc(NCc2cccc(F)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211087
PNG
(CHEMBL3958838)
Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211094
PNG
(CHEMBL3950142)
Show SMILES Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5OS/c17-13-12-15(23-14(19-12)11-7-4-8-22-11)21-16(20-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,17,18,20,21)
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37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211077
PNG
(CHEMBL3980049)
Show SMILES Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O3S/c18-14-13-16(26-15(20-13)12-2-1-7-25-12)22-17(21-14)19-6-5-9-3-4-10(23)11(24)8-9/h1-4,7-8,23-24H,5-6H2,(H3,18,19,21,22)
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39n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211077
PNG
(CHEMBL3980049)
Show SMILES Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O3S/c18-14-13-16(26-15(20-13)12-2-1-7-25-12)22-17(21-14)19-6-5-9-3-4-10(23)11(24)8-9/h1-4,7-8,23-24H,5-6H2,(H3,18,19,21,22)
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40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211093
PNG
(CHEMBL3984266)
Show SMILES CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211094
PNG
(CHEMBL3950142)
Show SMILES Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5OS/c17-13-12-15(23-14(19-12)11-7-4-8-22-11)21-16(20-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,17,18,20,21)
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211080
PNG
(CHEMBL3951103)
Show SMILES Nc1nc(NCCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C18H17N5OS/c19-15-14-17(25-16(21-14)13-9-5-11-24-13)23-18(22-15)20-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H3,19,20,22,23)
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49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211080
PNG
(CHEMBL3951103)
Show SMILES Nc1nc(NCCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C18H17N5OS/c19-15-14-17(25-16(21-14)13-9-5-11-24-13)23-18(22-15)20-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H3,19,20,22,23)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211090
PNG
(CHEMBL3963278)
Show SMILES CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211095
PNG
(CHEMBL3917647)
Show SMILES Nc1nc(NCCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-5-2-8-24-12)22-17(21-14)19-7-6-10-3-1-4-11(23)9-10/h1-5,8-9,23H,6-7H2,(H3,18,19,21,22)
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211092
PNG
(CHEMBL3898647)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1OC
Show InChI InChI=1S/C19H19N5O3S/c1-25-12-6-5-11(10-14(12)26-2)7-8-21-19-23-16(20)15-18(24-19)28-17(22-15)13-4-3-9-27-13/h3-6,9-10H,7-8H2,1-2H3,(H3,20,21,23,24)
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91n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211078
PNG
(CHEMBL3904408)
Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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92n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211091
PNG
(CHEMBL3931329)
Show SMILES COc1ccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-4-10(5-7-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-3-2-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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163n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211091
PNG
(CHEMBL3931329)
Show SMILES COc1ccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-4-10(5-7-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-3-2-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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171n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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185n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211088
PNG
(CHEMBL3935610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5OS/c18-14-13-16(24-15(20-13)12-7-4-10-23-12)22-17(21-14)19-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H3,18,19,21,22)
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217n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211092
PNG
(CHEMBL3898647)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1OC
Show InChI InChI=1S/C19H19N5O3S/c1-25-12-6-5-11(10-14(12)26-2)7-8-21-19-23-16(20)15-18(24-19)28-17(22-15)13-4-3-9-27-13/h3-6,9-10H,7-8H2,1-2H3,(H3,20,21,23,24)
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221n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211082
PNG
(CHEMBL3907658)
Show SMILES COc1cccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23)
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287n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211083
PNG
(CHEMBL3922410)
Show SMILES Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H11N5OS/c16-12-11-14(22-13(18-11)10-7-4-8-21-10)20-15(19-12)17-9-5-2-1-3-6-9/h1-8H,(H3,16,17,19,20)
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321n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211091
PNG
(CHEMBL3931329)
Show SMILES COc1ccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-4-10(5-7-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-3-2-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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381n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211077
PNG
(CHEMBL3980049)
Show SMILES Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O3S/c18-14-13-16(26-15(20-13)12-2-1-7-25-12)22-17(21-14)19-6-5-9-3-4-10(23)11(24)8-9/h1-4,7-8,23-24H,5-6H2,(H3,18,19,21,22)
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546n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211083
PNG
(CHEMBL3922410)
Show SMILES Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H11N5OS/c16-12-11-14(22-13(18-11)10-7-4-8-21-10)20-15(19-12)17-9-5-2-1-3-6-9/h1-8H,(H3,16,17,19,20)
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645n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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683n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211083
PNG
(CHEMBL3922410)
Show SMILES Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H11N5OS/c16-12-11-14(22-13(18-11)10-7-4-8-21-10)20-15(19-12)17-9-5-2-1-3-6-9/h1-8H,(H3,16,17,19,20)
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782n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting metho...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211092
PNG
(CHEMBL3898647)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1OC
Show InChI InChI=1S/C19H19N5O3S/c1-25-12-6-5-11(10-14(12)26-2)7-8-21-19-23-16(20)15-18(24-19)28-17(22-15)13-4-3-9-27-13/h3-6,9-10H,7-8H2,1-2H3,(H3,20,21,23,24)
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824n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211080
PNG
(CHEMBL3951103)
Show SMILES Nc1nc(NCCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C18H17N5OS/c19-15-14-17(25-16(21-14)13-9-5-11-24-13)23-18(22-15)20-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H3,19,20,22,23)
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1.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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1.88E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(Homo sapiens (human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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2.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting meth...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211087
PNG
(CHEMBL3958838)
Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 0.00190n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211078
PNG
(CHEMBL3904408)
Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 0.00830n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211087
PNG
(CHEMBL3958838)
Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 0.0510n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211078
PNG
(CHEMBL3904408)
Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 0.0950n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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n/an/a 0.678n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211088
PNG
(CHEMBL3935610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5OS/c18-14-13-16(24-15(20-13)12-7-4-10-23-12)22-17(21-14)19-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H3,18,19,21,22)
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n/an/a 16n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211077
PNG
(CHEMBL3980049)
Show SMILES Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O3S/c18-14-13-16(26-15(20-13)12-2-1-7-25-12)22-17(21-14)19-6-5-9-3-4-10(23)11(24)8-9/h1-4,7-8,23-24H,5-6H2,(H3,18,19,21,22)
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n/an/a 18n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211094
PNG
(CHEMBL3950142)
Show SMILES Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5OS/c17-13-12-15(23-14(19-12)11-7-4-8-22-11)21-16(20-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,17,18,20,21)
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n/an/a 18n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211095
PNG
(CHEMBL3917647)
Show SMILES Nc1nc(NCCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-5-2-8-24-12)22-17(21-14)19-7-6-10-3-1-4-11(23)9-10/h1-5,8-9,23H,6-7H2,(H3,18,19,21,22)
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n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211094
PNG
(CHEMBL3950142)
Show SMILES Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5OS/c17-13-12-15(23-14(19-12)11-7-4-8-22-11)21-16(20-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,17,18,20,21)
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n/an/a 29n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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n/an/a 31n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211094
PNG
(CHEMBL3950142)
Show SMILES Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5OS/c17-13-12-15(23-14(19-12)11-7-4-8-22-11)21-16(20-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,17,18,20,21)
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n/an/a 32n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211088
PNG
(CHEMBL3935610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5OS/c18-14-13-16(24-15(20-13)12-7-4-10-23-12)22-17(21-14)19-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H3,18,19,21,22)
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n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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n/an/a 42n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211082
PNG
(CHEMBL3907658)
Show SMILES COc1cccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-5-2-4-11(10-12)7-8-20-18-22-15(19)14-17(23-18)26-16(21-14)13-6-3-9-25-13/h2-6,9-10H,7-8H2,1H3,(H3,19,20,22,23)
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n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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n/an/a 48n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211092
PNG
(CHEMBL3898647)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1OC
Show InChI InChI=1S/C19H19N5O3S/c1-25-12-6-5-11(10-14(12)26-2)7-8-21-19-23-16(20)15-18(24-19)28-17(22-15)13-4-3-9-27-13/h3-6,9-10H,7-8H2,1-2H3,(H3,20,21,23,24)
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n/an/a 95n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211089
PNG
(CHEMBL3913413)
Show SMILES Nc1nc(NCc2cccc(F)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22)
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n/an/a 103n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211091
PNG
(CHEMBL3931329)
Show SMILES COc1ccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-4-10(5-7-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-3-2-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 123n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211093
PNG
(CHEMBL3984266)
Show SMILES CCCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C13H15N5OS/c1-2-3-6-15-13-17-10(14)9-12(18-13)20-11(16-9)8-5-4-7-19-8/h4-5,7H,2-3,6H2,1H3,(H3,14,15,17,18)
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n/an/a 185n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211091
PNG
(CHEMBL3931329)
Show SMILES COc1ccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-4-10(5-7-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-3-2-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 187n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211091
PNG
(CHEMBL3931329)
Show SMILES COc1ccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-4-10(5-7-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-3-2-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 283n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211087
PNG
(CHEMBL3958838)
Show SMILES COc1ccccc1CNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-6-3-2-5-10(11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-7-4-8-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 313n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211090
PNG
(CHEMBL3963278)
Show SMILES CCCNc1nc(N)c2nc(sc2n1)-c1ccco1
Show InChI InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
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n/an/a 323n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211088
PNG
(CHEMBL3935610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5OS/c18-14-13-16(24-15(20-13)12-7-4-10-23-12)22-17(21-14)19-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H3,18,19,21,22)
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n/an/a 389n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211078
PNG
(CHEMBL3904408)
Show SMILES COc1cccc(CNc2nc(N)c3nc(sc3n2)-c2ccco2)c1
Show InChI InChI=1S/C17H15N5O2S/c1-23-11-5-2-4-10(8-11)9-19-17-21-14(18)13-16(22-17)25-15(20-13)12-6-3-7-24-12/h2-8H,9H2,1H3,(H3,18,19,21,22)
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n/an/a 452n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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n/an/a 482n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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n/an/a 553n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211083
PNG
(CHEMBL3922410)
Show SMILES Nc1nc(Nc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C15H11N5OS/c16-12-11-14(22-13(18-11)10-7-4-8-21-10)20-15(19-12)17-9-5-2-1-3-6-9/h1-8H,(H3,16,17,19,20)
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PubMed
n/an/a 632n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211080
PNG
(CHEMBL3951103)
Show SMILES Nc1nc(NCCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C18H17N5OS/c19-15-14-17(25-16(21-14)13-9-5-11-24-13)23-18(22-15)20-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H3,19,20,22,23)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%