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28 similar compounds to monomer 50140971

Compile data set for download or QSAR
Wt: 537.5
BDBM50140956
Wt: 552.6
BDBM50140957
Wt: 572.4
BDBM50140958
Wt: 550.6
BDBM50140959
Wt: 472.5
BDBM50140961
Wt: 589.3
BDBM50140962
Wt: 479.5
BDBM50140964
Wt: 525.5
BDBM50140967
Wt: 483.4
BDBM50140970
Wt: 521.6
BDBM50140972
Wt: 511.5
BDBM50140974
Wt: 511.5
BDBM50140979
Wt: 572.4
BDBM50140995
Wt: 507.5
BDBM50140996
Wt: 466.4
BDBM50141000
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 79 hits for monomerid = 50140956,50140957,50140958,50140959,50140961,50140962,50140964,50140967,50140970,50140972,50140974,50140979,50140995,50140996,50141000   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140967
PNG
(CHEMBL33305 | N-(3,4-Dimethoxy-phenyl)-2-[5-(2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-20(29-30(16)3)38-14-19(33)26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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12n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140967
PNG
(CHEMBL33305 | N-(3,4-Dimethoxy-phenyl)-2-[5-(2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-20(29-30(16)3)38-14-19(33)26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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12n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140964
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)
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19n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140964
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)
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19n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140956
PNG
(4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
Show InChI InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,27,34)(H,28,29)
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32n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140956
PNG
(4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
Show InChI InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,27,34)(H,28,29)
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32n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50141000
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccncc2)nn1C
Show InChI InChI=1S/C22H26N8O4/c1-4-10-29-20-18(21(32)30(11-5-2)22(29)33)25-19(26-20)15-12-17(27-28(15)3)34-13-16(31)24-14-6-8-23-9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,26)(H,23,24,31)
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41n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140995
PNG
(CHEMBL33653 | N-(4-Bromo-phenyl)-2-[5-(1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)n(C)n1
Show InChI InChI=1S/C25H30BrN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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49n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140957
PNG
(8-(5-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)nn1C
Show InChI InChI=1S/C27H33FN8O4/c1-4-10-35-25-23(26(38)36(11-5-2)27(35)39)29-24(30-25)20-16-21(31-32(20)3)40-17-22(37)34-14-12-33(13-15-34)19-8-6-18(28)7-9-19/h6-9,16H,4-5,10-15,17H2,1-3H3,(H,29,30)
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55n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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65n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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65n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140995
PNG
(CHEMBL33653 | N-(4-Bromo-phenyl)-2-[5-(1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)n(C)n1
Show InChI InChI=1S/C25H30BrN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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66n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140974
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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72n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140972
PNG
(CHEMBL32118 | N-(4-sec-Butyl-phenyl)-2-[5-(2,6-dio...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)CC)nn1C
Show InChI InChI=1S/C27H35N7O4/c1-6-13-33-25-23(26(36)34(14-7-2)27(33)37)29-24(30-25)20-15-22(31-32(20)5)38-16-21(35)28-19-11-9-18(10-12-19)17(4)8-3/h9-12,15,17H,6-8,13-14,16H2,1-5H3,(H,28,35)(H,29,30)
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74n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140961
PNG
(8-{2-Methyl-5-[2-(4-methyl-piperazin-1-yl)-2-oxo-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
Show InChI InChI=1S/C22H32N8O4/c1-5-7-29-20-18(21(32)30(8-6-2)22(29)33)23-19(24-20)15-13-16(25-27(15)4)34-14-17(31)28-11-9-26(3)10-12-28/h13H,5-12,14H2,1-4H3,(H,23,24)
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76n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140961
PNG
(8-{2-Methyl-5-[2-(4-methyl-piperazin-1-yl)-2-oxo-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
Show InChI InChI=1S/C22H32N8O4/c1-5-7-29-20-18(21(32)30(8-6-2)22(29)33)23-19(24-20)15-13-16(25-27(15)4)34-14-17(31)28-11-9-26(3)10-12-28/h13H,5-12,14H2,1-4H3,(H,23,24)
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76n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140964
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)
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79n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140996
PNG
(CHEMBL32288 | N-(4-Acetyl-phenyl)-2-[5-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)=O)nn1C
Show InChI InChI=1S/C25H29N7O5/c1-5-11-31-23-21(24(35)32(12-6-2)25(31)36)27-22(28-23)18-13-20(29-30(18)4)37-14-19(34)26-17-9-7-16(8-10-17)15(3)33/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,26,34)(H,27,28)
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86n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140959
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)nn1C
Show InChI InChI=1S/C27H34N8O5/c1-4-10-34-25-23(26(37)35(11-5-2)27(34)38)29-24(30-25)20-16-22(31-32(20)3)40-17-21(36)28-18-6-8-19(9-7-18)33-12-14-39-15-13-33/h6-9,16H,4-5,10-15,17H2,1-3H3,(H,28,36)(H,29,30)
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86n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140961
PNG
(8-{2-Methyl-5-[2-(4-methyl-piperazin-1-yl)-2-oxo-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
Show InChI InChI=1S/C22H32N8O4/c1-5-7-29-20-18(21(32)30(8-6-2)22(29)33)23-19(24-20)15-13-16(25-27(15)4)34-14-17(31)28-11-9-26(3)10-12-28/h13H,5-12,14H2,1-4H3,(H,23,24)
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122n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140958
PNG
(CHEMBL32534 | N-(4-Bromo-phenyl)-2-[5-(1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
Show InChI InChI=1S/C25H30BrN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(30-31(18)5)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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132n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140974
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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207n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140979
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(30-31(18)5)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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303n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140979
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(30-31(18)5)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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467n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50141000
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccncc2)nn1C
Show InChI InChI=1S/C22H26N8O4/c1-4-10-29-20-18(21(32)30(11-5-2)22(29)33)25-19(26-20)15-12-17(27-28(15)3)34-13-16(31)24-14-6-8-23-9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,26)(H,23,24,31)
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955n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140961
PNG
(8-{2-Methyl-5-[2-(4-methyl-piperazin-1-yl)-2-oxo-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
Show InChI InChI=1S/C22H32N8O4/c1-5-7-29-20-18(21(32)30(8-6-2)22(29)33)23-19(24-20)15-13-16(25-27(15)4)34-14-17(31)28-11-9-26(3)10-12-28/h13H,5-12,14H2,1-4H3,(H,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140972
PNG
(CHEMBL32118 | N-(4-sec-Butyl-phenyl)-2-[5-(2,6-dio...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)CC)nn1C
Show InChI InChI=1S/C27H35N7O4/c1-6-13-33-25-23(26(36)34(14-7-2)27(33)37)29-24(30-25)20-15-22(31-32(20)5)38-16-21(35)28-19-11-9-18(10-12-19)17(4)8-3/h9-12,15,17H,6-8,13-14,16H2,1-5H3,(H,28,35)(H,29,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140974
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140974
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140979
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(30-31(18)5)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140962
PNG
(2-[6-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nn1
Show InChI InChI=1S/C23H24IN7O4/c1-3-11-30-21-19(22(33)31(12-4-2)23(30)34)26-20(27-21)16-9-10-18(29-28-16)35-13-17(32)25-15-7-5-14(24)6-8-15/h5-10H,3-4,11-13H2,1-2H3,(H,25,32)(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140995
PNG
(CHEMBL33653 | N-(4-Bromo-phenyl)-2-[5-(1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)n(C)n1
Show InChI InChI=1S/C25H30BrN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(31(5)30-18)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140964
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140996
PNG
(CHEMBL32288 | N-(4-Acetyl-phenyl)-2-[5-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)=O)nn1C
Show InChI InChI=1S/C25H29N7O5/c1-5-11-31-23-21(24(35)32(12-6-2)25(31)36)27-22(28-23)18-13-20(29-30(18)4)37-14-19(34)26-17-9-7-16(8-10-17)15(3)33/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,26,34)(H,27,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140996
PNG
(CHEMBL32288 | N-(4-Acetyl-phenyl)-2-[5-(2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)=O)nn1C
Show InChI InChI=1S/C25H29N7O5/c1-5-11-31-23-21(24(35)32(12-6-2)25(31)36)27-22(28-23)18-13-20(29-30(18)4)37-14-19(34)26-17-9-7-16(8-10-17)15(3)33/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,26,34)(H,27,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140979
PNG
(2-[5-(1,3-Diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C25H30FN7O4/c1-14(2)11-32-23-21(24(35)33(25(32)36)12-15(3)4)28-22(29-23)18-10-20(30-31(18)5)37-13-19(34)27-17-8-6-16(26)7-9-17/h6-10,14-15H,11-13H2,1-5H3,(H,27,34)(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140961
PNG
(8-{2-Methyl-5-[2-(4-methyl-piperazin-1-yl)-2-oxo-e...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
Show InChI InChI=1S/C22H32N8O4/c1-5-7-29-20-18(21(32)30(8-6-2)22(29)33)23-19(24-20)15-13-16(25-27(15)4)34-14-17(31)28-11-9-26(3)10-12-28/h13H,5-12,14H2,1-4H3,(H,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140962
PNG
(2-[6-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nn1
Show InChI InChI=1S/C23H24IN7O4/c1-3-11-30-21-19(22(33)31(12-4-2)23(30)34)26-20(27-21)16-9-10-18(29-28-16)35-13-17(32)25-15-7-5-14(24)6-8-15/h5-10H,3-4,11-13H2,1-2H3,(H,25,32)(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140959
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)nn1C
Show InChI InChI=1S/C27H34N8O5/c1-4-10-34-25-23(26(37)35(11-5-2)27(34)38)29-24(30-25)20-16-22(31-32(20)3)40-17-21(36)28-18-6-8-19(9-7-18)33-12-14-39-15-13-33/h6-9,16H,4-5,10-15,17H2,1-3H3,(H,28,36)(H,29,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140964
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
Show InChI InChI=1S/C24H29N7O4/c1-5-11-30-22-20(23(33)31(12-6-2)24(30)34)26-21(27-22)17-13-19(28-29(17)4)35-14-18(32)25-16-9-7-15(3)8-10-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50140962
PNG
(2-[6-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nn1
Show InChI InChI=1S/C23H24IN7O4/c1-3-11-30-21-19(22(33)31(12-4-2)23(30)34)26-20(27-21)16-9-10-18(29-28-16)35-13-17(32)25-15-7-5-14(24)6-8-15/h5-10H,3-4,11-13H2,1-2H3,(H,25,32)(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50140957
PNG
(8-(5-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)nn1C
Show InChI InChI=1S/C27H33FN8O4/c1-4-10-35-25-23(26(38)36(11-5-2)27(35)39)29-24(30-25)20-16-21(31-32(20)3)40-17-22(37)34-14-12-33(13-15-34)19-8-6-18(28)7-9-19/h6-9,16H,4-5,10-15,17H2,1-3H3,(H,29,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140959
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)nn1C
Show InChI InChI=1S/C27H34N8O5/c1-4-10-34-25-23(26(37)35(11-5-2)27(34)38)29-24(30-25)20-16-22(31-32(20)3)40-17-21(36)28-18-6-8-19(9-7-18)33-12-14-39-15-13-33/h6-9,16H,4-5,10-15,17H2,1-3H3,(H,28,36)(H,29,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human recombinant adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50141000
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccncc2)nn1C
Show InChI InChI=1S/C22H26N8O4/c1-4-10-29-20-18(21(32)30(11-5-2)22(29)33)25-19(26-20)15-12-17(27-28(15)3)34-13-16(31)24-14-6-8-23-9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,26)(H,23,24,31)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140970
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
Show InChI InChI=1S/C23H26FN7O4/c1-4-10-30-21-19(22(33)31(11-5-2)23(30)34)26-20(27-21)16-12-18(28-29(16)3)35-13-17(32)25-15-8-6-14(24)7-9-15/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50140956
PNG
(4-{2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
Show InChI InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,27,34)(H,28,29)
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells


J Med Chem 47: 1434-47 (2004)


Article DOI: 10.1021/jm0309654
BindingDB Entry DOI: 10.7270/Q22B8ZSM
More data for this
Ligand-Target Pair
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