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PubMed code 20137946

Compile data set for download or QSAR
Found 81 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 A2b


(Homo sapiens (Human))
BDBM50312965
PNG
(CHEMBL1081812 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C18H15N3O2/c22-18(13-3-4-13)21-16-6-5-14(12-7-9-19-10-8-12)17(20-16)15-2-1-11-23-15/h1-2,5-11,13H,3-4H2,(H,20,21,22)
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1n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312950
PNG
(CHEMBL1079804 | N-(3'-fluoro-2-(furan-2-yl)-3,4'-b...)
Show SMILES Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C18H14FN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
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1n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312958
PNG
(CHEMBL1082028 | N-(2-(2-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-17-4-2-1-3-16(17)19-15(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)14-5-6-14/h1-4,7-12,14H,5-6H2,(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312959
PNG
(CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312966
PNG
(CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...)
Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)
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4n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312961
PNG
(CHEMBL1081038 | N-(2-(4-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)19-17(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)15-1-2-15/h3-12,15H,1-2H2,(H,23,24,25)
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4n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312949
PNG
(CHEMBL1079803 | N-(3'-chloro-2-(furan-2-yl)-3,4'-b...)
Show SMILES Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
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5n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312951
PNG
(CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...)
Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)
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5n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312964
PNG
(CHEMBL1081811 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)
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7n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312951
PNG
(CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...)
Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)
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11n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312947
PNG
(CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...)
Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)
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12n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312959
PNG
(CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)
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14n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312972
PNG
(CHEMBL1081041 | Cyclopropanecarboxylic acid [4,2'3...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24)
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14n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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17n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312951
PNG
(CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...)
Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)
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25n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312946
PNG
(CHEMBL1076562 | N-(5-bromo-6-(furan-2-yl)pyridin-2...)
Show SMILES Brc1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17)
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28n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312955
PNG
(CHEMBL1080676 | N-(2-(oxazol-5-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cnco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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30n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312965
PNG
(CHEMBL1081812 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C18H15N3O2/c22-18(13-3-4-13)21-16-6-5-14(12-7-9-19-10-8-12)17(20-16)15-2-1-11-23-15/h1-2,5-11,13H,3-4H2,(H,20,21,22)
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30n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312960
PNG
(CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1
Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)
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30n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312954
PNG
(CHEMBL1080500 | N-(2-(oxazol-2-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ncco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22)
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32n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312971
PNG
(CHEMBL1081040 | Cyclopropanecarboxylic acid [3,2',...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cccnc1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(14-3-4-14)23-17-6-5-16(13-7-10-20-11-8-13)18(22-17)15-2-1-9-21-12-15/h1-2,5-12,14H,3-4H2,(H,22,23,24)
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33n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312946
PNG
(CHEMBL1076562 | N-(5-bromo-6-(furan-2-yl)pyridin-2...)
Show SMILES Brc1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17)
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35n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312961
PNG
(CHEMBL1081038 | N-(2-(4-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)19-17(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)15-1-2-15/h3-12,15H,1-2H2,(H,23,24,25)
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35n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312961
PNG
(CHEMBL1081038 | N-(2-(4-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)19-17(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)15-1-2-15/h3-12,15H,1-2H2,(H,23,24,25)
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39n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312947
PNG
(CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...)
Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)
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41n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312952
PNG
(CHEMBL1082006 | N-(2-(thiazol-2-yl)-3,4'-bipyridin...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1nccs1)C1CC1
Show InChI InChI=1S/C17H14N4OS/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22)
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42n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312970
PNG
(CHEMBL1081039 | Cyclopropanecarboxylic acid [2,2',...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(14-4-5-14)23-17-7-6-15(13-8-11-20-12-9-13)18(22-17)16-3-1-2-10-21-16/h1-3,6-12,14H,4-5H2,(H,22,23,24)
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47n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312963
PNG
(CHEMBL1081459 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...)
Show SMILES CC(=O)Nc1ccc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C15H12N4O2/c1-10(20)18-14-5-4-11(12-6-7-16-9-17-12)15(19-14)13-3-2-8-21-13/h2-9H,1H3,(H,18,19,20)
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47n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312959
PNG
(CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)
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57n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312960
PNG
(CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1
Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)
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58n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312958
PNG
(CHEMBL1082028 | N-(2-(2-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-17-4-2-1-3-16(17)19-15(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)14-5-6-14/h1-4,7-12,14H,5-6H2,(H,23,24,25)
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61n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312957
PNG
(CHEMBL1080679 | N-(2-(1H-pyrazol-1-yl)-3,4'-bipyri...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-n1cccn1)C1CC1
Show InChI InChI=1S/C17H15N5O/c23-17(13-2-3-13)21-15-5-4-14(12-6-9-18-10-7-12)16(20-15)22-11-1-8-19-22/h1,4-11,13H,2-3H2,(H,20,21,23)
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72n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312953
PNG
(CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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78n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312965
PNG
(CHEMBL1081812 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C18H15N3O2/c22-18(13-3-4-13)21-16-6-5-14(12-7-9-19-10-8-12)17(20-16)15-2-1-11-23-15/h1-2,5-11,13H,3-4H2,(H,20,21,22)
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82n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312958
PNG
(CHEMBL1082028 | N-(2-(2-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-17-4-2-1-3-16(17)19-15(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)14-5-6-14/h1-4,7-12,14H,5-6H2,(H,23,24,25)
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123n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312956
PNG
(CHEMBL1080677 | N-(2-(oxazol-4-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cocn1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-23-10-19-14/h3-10,12H,1-2H2,(H,20,21,22)
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134n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312949
PNG
(CHEMBL1079803 | N-(3'-chloro-2-(furan-2-yl)-3,4'-b...)
Show SMILES Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
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147n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312950
PNG
(CHEMBL1079804 | N-(3'-fluoro-2-(furan-2-yl)-3,4'-b...)
Show SMILES Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C18H14FN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
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150n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312972
PNG
(CHEMBL1081041 | Cyclopropanecarboxylic acid [4,2'3...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24)
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163n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312951
PNG
(CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...)
Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)
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189n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312969
PNG
(CHEMBL1080678 | N-(2-(1H-pyrazol-3-yl)-3,4'-bipyri...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cc[nH]n1)C1CC1
Show InChI InChI=1S/C17H15N5O/c23-17(12-1-2-12)21-15-4-3-13(11-5-8-18-9-6-11)16(20-15)14-7-10-19-22-14/h3-10,12H,1-2H2,(H,19,22)(H,20,21,23)
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202n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312973
PNG
(CHEMBL1081042 | N-(2-(pyrimidin-4-yl)-3,4'-bipyrid...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncn1)C1CC1
Show InChI InChI=1S/C18H15N5O/c24-18(13-1-2-13)23-16-4-3-14(12-5-8-19-9-6-12)17(22-16)15-7-10-20-11-21-15/h3-11,13H,1-2H2,(H,22,23,24)
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208n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312964
PNG
(CHEMBL1081811 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)
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209n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312966
PNG
(CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...)
Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)
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239n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312949
PNG
(CHEMBL1079803 | N-(3'-chloro-2-(furan-2-yl)-3,4'-b...)
Show SMILES Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
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250n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312946
PNG
(CHEMBL1076562 | N-(5-bromo-6-(furan-2-yl)pyridin-2...)
Show SMILES Brc1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17)
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285n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312960
PNG
(CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1
Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)
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286n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312947
PNG
(CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...)
Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)
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289n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312952
PNG
(CHEMBL1082006 | N-(2-(thiazol-2-yl)-3,4'-bipyridin...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1nccs1)C1CC1
Show InChI InChI=1S/C17H14N4OS/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22)
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302n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312953
PNG
(CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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320n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312947
PNG
(CHEMBL1079801 | N-(5-cyano-6-(furan-2-yl)pyridin-2...)
Show SMILES O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C14H11N3O2/c15-8-10-5-6-12(17-14(18)9-3-4-9)16-13(10)11-2-1-7-19-11/h1-2,5-7,9H,3-4H2,(H,16,17,18)
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326n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312964
PNG
(CHEMBL1081811 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)
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333n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312972
PNG
(CHEMBL1081041 | Cyclopropanecarboxylic acid [4,2'3...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24)
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338n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312964
PNG
(CHEMBL1081811 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)
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358n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312950
PNG
(CHEMBL1079804 | N-(3'-fluoro-2-(furan-2-yl)-3,4'-b...)
Show SMILES Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C18H14FN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
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374n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312967
PNG
(CHEMBL1082003 | N-(2-chloro-3,4'-bipyridin-6-yl)cy...)
Show SMILES Clc1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C14H12ClN3O/c15-13-11(9-5-7-16-8-6-9)3-4-12(17-13)18-14(19)10-1-2-10/h3-8,10H,1-2H2,(H,17,18,19)
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380n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312962
PNG
(CHEMBL1081458 | N-(4'-(furan-2-yl)-4,5'-bipyrimidi...)
Show SMILES CC(=O)Nc1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C14H11N5O2/c1-9(20)18-14-16-7-10(11-4-5-15-8-17-11)13(19-14)12-3-2-6-21-12/h2-8H,1H3,(H,16,18,19,20)
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380n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312960
PNG
(CHEMBL1082208 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1
Show InChI InChI=1S/C18H14FN3O/c1-12(23)21-17-6-5-16(13-7-9-20-10-8-13)18(22-17)14-3-2-4-15(19)11-14/h2-11H,1H3,(H,21,22,23)
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471n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312946
PNG
(CHEMBL1076562 | N-(5-bromo-6-(furan-2-yl)pyridin-2...)
Show SMILES Brc1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-5-6-11(16-13(17)8-3-4-8)15-12(9)10-2-1-7-18-10/h1-2,5-8H,3-4H2,(H,15,16,17)
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617n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312955
PNG
(CHEMBL1080676 | N-(2-(oxazol-5-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cnco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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635n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312955
PNG
(CHEMBL1080676 | N-(2-(oxazol-5-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cnco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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635n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312954
PNG
(CHEMBL1080500 | N-(2-(oxazol-2-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ncco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22)
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702n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312959
PNG
(CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)
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715n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312953
PNG
(CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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813n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312958
PNG
(CHEMBL1082028 | N-(2-(2-fluorophenyl)-3,4'-bipyrid...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c21-17-4-2-1-3-16(17)19-15(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)14-5-6-14/h1-4,7-12,14H,5-6H2,(H,23,24,25)
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817n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312970
PNG
(CHEMBL1081039 | Cyclopropanecarboxylic acid [2,2',...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(14-4-5-14)23-17-7-6-15(13-8-11-20-12-9-13)18(22-17)16-3-1-2-10-21-16/h1-3,6-12,14H,4-5H2,(H,22,23,24)
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862n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312952
PNG
(CHEMBL1082006 | N-(2-(thiazol-2-yl)-3,4'-bipyridin...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1nccs1)C1CC1
Show InChI InChI=1S/C17H14N4OS/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22)
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914n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312966
PNG
(CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...)
Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)
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931n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50312970
PNG
(CHEMBL1081039 | Cyclopropanecarboxylic acid [2,2',...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(14-4-5-14)23-17-7-6-15(13-8-11-20-12-9-13)18(22-17)16-3-1-2-10-21-16/h1-3,6-12,14H,4-5H2,(H,22,23,24)
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940n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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1.04E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312965
PNG
(CHEMBL1081812 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C18H15N3O2/c22-18(13-3-4-13)21-16-6-5-14(12-7-9-19-10-8-12)17(20-16)15-2-1-11-23-15/h1-2,5-11,13H,3-4H2,(H,20,21,22)
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1.34E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312954
PNG
(CHEMBL1080500 | N-(2-(oxazol-2-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ncco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-16(12-1-2-12)21-14-4-3-13(11-5-7-18-8-6-11)15(20-14)17-19-9-10-23-17/h3-10,12H,1-2H2,(H,20,21,22)
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1.36E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312956
PNG
(CHEMBL1080677 | N-(2-(oxazol-4-yl)-3,4'-bipyridin-...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cocn1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-23-10-19-14/h3-10,12H,1-2H2,(H,20,21,22)
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1.37E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312957
PNG
(CHEMBL1080679 | N-(2-(1H-pyrazol-1-yl)-3,4'-bipyri...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-n1cccn1)C1CC1
Show InChI InChI=1S/C17H15N5O/c23-17(13-2-3-13)21-15-5-4-14(12-6-9-18-10-7-12)16(20-15)22-11-1-8-19-22/h1,4-11,13H,2-3H2,(H,20,21,23)
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1.44E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312971
PNG
(CHEMBL1081040 | Cyclopropanecarboxylic acid [3,2',...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cccnc1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(14-3-4-14)23-17-6-5-16(13-7-10-20-11-8-13)18(22-17)15-2-1-9-21-12-15/h1-2,5-12,14H,3-4H2,(H,22,23,24)
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1.47E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50312948
PNG
(CHEMBL1079802 | N-(6-(furan-2-yl)-5-(5H-tetrazol-5...)
Show SMILES O=C(Nc1ccc(-c2nnn[nH]2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C14H12N6O2/c21-14(8-3-4-8)16-11-6-5-9(13-17-19-20-18-13)12(15-11)10-2-1-7-22-10/h1-2,5-8H,3-4H2,(H,15,16,21)(H,17,18,19,20)
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1.64E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312949
PNG
(CHEMBL1079803 | N-(3'-chloro-2-(furan-2-yl)-3,4'-b...)
Show SMILES Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
Show InChI InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
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1.87E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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2.82E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50312968
PNG
(CHEMBL1082004 | N-(2-acetyl-3,4'-bipyridin-6-yl)cy...)
Show SMILES CC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
Show InChI InChI=1S/C16H15N3O2/c1-10(20)15-13(11-6-8-17-9-7-11)4-5-14(18-15)19-16(21)12-2-3-12/h4-9,12H,2-3H2,1H3,(H,18,19,21)
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3.67E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312966
PNG
(CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...)
Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)
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Article
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3.75E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50312953
PNG
(CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...)
Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)
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4.85E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%