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21 similar compounds to monomer 50410667

Wt: 503.5
BDBM50003221
Wt: 537.9
BDBM50003106
Wt: 552.4
BDBM50003225
Wt: 502.5
BDBM50003228
Wt: 422.4
BDBM50410670
Wt: 418.4
BDBM50410674
Wt: 483.3
BDBM50410676
Wt: 434.4
BDBM50410679
Wt: 497.3
BDBM50410697
Wt: 513.3
BDBM50410700
Wt: 452.4
BDBM50410702
Wt: 404.4
BDBM50410718
Wt: 447.4
BDBM50410745
Wt: 482.9
BDBM50410757
Wt: 434.4
BDBM50410758
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50003221,50003106,50003225,50003228,50410670,50410674,50410676,50410679,50410697,50410700,50410702,50410718,50410745,50410757,50410758   
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))
BDBM50410697
PNG
(CHEMBL370588)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-13(21(29)25-16-8-6-15(24)7-9-16)32-17-10-4-14(5-11-17)18-12-19-20(26-18)22(30)28(3)23(31)27(19)2/h4-13,26H,1-3H3,(H,25,29)
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1.55n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410670
PNG
(CHEMBL199446)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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3.02n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50003225
PNG
(CHEMBL411075)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H26BrN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-3-9-20(10-4-17)36-16-23(33)32-13-11-31(12-14-32)19-7-5-18(27)6-8-19/h3-10,15,28H,11-14,16H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410674
PNG
(CHEMBL199611)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H22N4O4/c1-14(21(28)24-16-7-5-4-6-8-16)31-17-11-9-15(10-12-17)18-13-19-20(25-18)22(29)27(3)23(30)26(19)2/h4-14,25H,1-3H3,(H,24,28)
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4.79n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50410674
PNG
(CHEMBL199611)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H22N4O4/c1-14(21(28)24-16-7-5-4-6-8-16)31-17-11-9-15(10-12-17)18-13-19-20(25-18)22(29)27(3)23(30)26(19)2/h4-14,25H,1-3H3,(H,24,28)
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7.76n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A1 receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410718
PNG
(CHEMBL201721)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-20(18)21(28)26(2)22(25)29)14-8-10-16(11-9-14)30-13-19(27)23-15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,23,27)
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11.0n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50410670
PNG
(CHEMBL199446)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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14.8n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A1 receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410702
PNG
(CHEMBL199485)
Show SMILES COc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H21FN4O5/c1-27-18-11-17(26-21(18)22(30)28(2)23(27)31)16-9-8-15(10-19(16)32-3)33-12-20(29)25-14-6-4-13(24)5-7-14/h4-11,26H,12H2,1-3H3,(H,25,29)
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25.1n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410697
PNG
(CHEMBL370588)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-13(21(29)25-16-8-6-15(24)7-9-16)32-17-10-4-14(5-11-17)18-12-19-20(26-18)22(30)28(3)23(31)27(19)2/h4-13,26H,1-3H3,(H,25,29)
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26.9n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50003221
PNG
(CHEMBL428605)
Show SMILES COc1cc(OCC(=O)N2CCN(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H29N5O5/c1-29-22-16-21(28-25(22)26(34)30(2)27(29)35)20-10-9-19(15-23(20)36-3)37-17-24(33)32-13-11-31(12-14-32)18-7-5-4-6-8-18/h4-10,15-16,28H,11-14,17H2,1-3H3
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32n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410700
PNG
(CHEMBL201243)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccc(Br)cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H21BrN4O5/c1-27-17-11-16(26-21(17)22(30)28(2)23(27)31)13-4-9-18(19(10-13)32-3)33-12-20(29)25-15-7-5-14(24)6-8-15/h4-11,26H,12H2,1-3H3,(H,25,29)
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38.9n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410676
PNG
(CHEMBL382663)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1
Show InChI InChI=1S/C22H19BrN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-4-3-5-16(10-13)31-12-19(28)24-15-8-6-14(23)7-9-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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44.7n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410674
PNG
(CHEMBL199611)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H22N4O4/c1-14(21(28)24-16-7-5-4-6-8-16)31-17-11-9-15(10-12-17)18-13-19-20(25-18)22(29)27(3)23(30)26(19)2/h4-14,25H,1-3H3,(H,24,28)
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47.9n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410670
PNG
(CHEMBL199446)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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64.6n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410676
PNG
(CHEMBL382663)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1
Show InChI InChI=1S/C22H19BrN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-4-3-5-16(10-13)31-12-19(28)24-15-8-6-14(23)7-9-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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67.6n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410758
PNG
(CHEMBL426660)
Show SMILES COc1cc(OCC(=O)Nc2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H22N4O5/c1-26-18-12-17(25-21(18)22(29)27(2)23(26)30)16-10-9-15(11-19(16)31-3)32-13-20(28)24-14-7-5-4-6-8-14/h4-12,25H,13H2,1-3H3,(H,24,28)
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69.2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410700
PNG
(CHEMBL201243)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccc(Br)cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H21BrN4O5/c1-27-17-11-16(26-21(17)22(30)28(2)23(27)31)13-4-9-18(19(10-13)32-3)33-12-20(29)25-15-7-5-14(24)6-8-15/h4-11,26H,12H2,1-3H3,(H,25,29)
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81.3n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410702
PNG
(CHEMBL199485)
Show SMILES COc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H21FN4O5/c1-27-18-11-17(26-21(18)22(30)28(2)23(27)31)16-9-8-15(10-19(16)32-3)33-12-20(29)25-14-6-4-13(24)5-7-14/h4-11,26H,12H2,1-3H3,(H,25,29)
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95.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50003225
PNG
(CHEMBL411075)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H26BrN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-3-9-20(10-4-17)36-16-23(33)32-13-11-31(12-14-32)19-7-5-18(27)6-8-19/h3-10,15,28H,11-14,16H2,1-2H3
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115n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410757
PNG
(CHEMBL201580)
Show SMILES COc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C24H23ClN4O5/c1-28-19-11-18(27-22(19)23(31)29(2)24(28)32)17-9-8-16(10-20(17)33-3)34-13-21(30)26-12-14-4-6-15(25)7-5-14/h4-11,27H,12-13H2,1-3H3,(H,26,30)
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123n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410679
PNG
(CHEMBL199354)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H22N4O5/c1-26-17-12-16(25-21(17)22(29)27(2)23(26)30)14-9-10-18(19(11-14)31-3)32-13-20(28)24-15-7-5-4-6-8-15/h4-12,25H,13H2,1-3H3,(H,24,28)
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148n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410745
PNG
(CHEMBL200105)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(CCN)cc2)cc1
Show InChI InChI=1S/C24H25N5O4/c1-28-20-13-19(27-22(20)23(31)29(2)24(28)32)16-5-9-18(10-6-16)33-14-21(30)26-17-7-3-15(4-8-17)11-12-25/h3-10,13,27H,11-12,14,25H2,1-2H3,(H,26,30)
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166n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410745
PNG
(CHEMBL200105)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(CCN)cc2)cc1
Show InChI InChI=1S/C24H25N5O4/c1-28-20-13-19(27-22(20)23(31)29(2)24(28)32)16-5-9-18(10-6-16)33-14-21(30)26-17-7-3-15(4-8-17)11-12-25/h3-10,13,27H,11-12,14,25H2,1-2H3,(H,26,30)
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186n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2B receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410757
PNG
(CHEMBL201580)
Show SMILES COc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C24H23ClN4O5/c1-28-19-11-18(27-22(19)23(31)29(2)24(28)32)17-9-8-16(10-20(17)33-3)34-13-21(30)26-12-14-4-6-15(25)7-5-14/h4-11,27H,12-13H2,1-3H3,(H,26,30)
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186n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50410718
PNG
(CHEMBL201721)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-20(18)21(28)26(2)22(25)29)14-8-10-16(11-9-14)30-13-19(27)23-15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,23,27)
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240n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A1 receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410679
PNG
(CHEMBL199354)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H22N4O5/c1-26-17-12-16(25-21(17)22(29)27(2)23(26)30)14-9-10-18(19(11-14)31-3)32-13-20(28)24-15-7-5-4-6-8-15/h4-12,25H,13H2,1-3H3,(H,24,28)
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302n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50003106
PNG
(CHEMBL411314)
Show SMILES COc1cc(OCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H28ClN5O5/c1-30-22-15-21(29-25(22)26(35)31(2)27(30)36)20-9-8-19(14-23(20)37-3)38-16-24(34)33-12-10-32(11-13-33)18-6-4-17(28)5-7-18/h4-9,14-15,29H,10-13,16H2,1-3H3
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479n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50003221
PNG
(CHEMBL428605)
Show SMILES COc1cc(OCC(=O)N2CCN(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H29N5O5/c1-29-22-16-21(28-25(22)26(34)30(2)27(29)35)20-10-9-19(15-23(20)36-3)37-17-24(33)32-13-11-31(12-14-32)18-7-5-4-6-8-18/h4-10,15-16,28H,11-14,17H2,1-3H3
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537n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410718
PNG
(CHEMBL201721)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-20(18)21(28)26(2)22(25)29)14-8-10-16(11-9-14)30-13-19(27)23-15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,23,27)
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776n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50003228
PNG
(CHEMBL265182)
Show SMILES COc1cc(OCC(=O)N2CCC(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C28H30N4O5/c1-30-23-16-22(29-26(23)27(34)31(2)28(30)35)21-10-9-20(15-24(21)36-3)37-17-25(33)32-13-11-19(12-14-32)18-7-5-4-6-8-18/h4-10,15-16,19,29H,11-14,17H2,1-3H3
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891n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


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


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50410674
PNG
(CHEMBL199611)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H22N4O4/c1-14(21(28)24-16-7-5-4-6-8-16)31-17-11-9-15(10-12-17)18-13-19-20(25-18)22(29)27(3)23(30)26(19)2/h4-14,25H,1-3H3,(H,24,28)
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912n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A3 receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410758
PNG
(CHEMBL426660)
Show SMILES COc1cc(OCC(=O)Nc2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C23H22N4O5/c1-26-18-12-17(25-21(18)22(29)27(2)23(26)30)16-10-9-15(11-19(16)31-3)32-13-20(28)24-14-7-5-4-6-8-14/h4-12,25H,13H2,1-3H3,(H,24,28)
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1.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human adenosine A2A receptor


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50003221
PNG
(CHEMBL428605)
Show SMILES COc1cc(OCC(=O)N2CCN(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H29N5O5/c1-29-22-16-21(28-25(22)26(34)30(2)27(29)35)20-10-9-19(15-23(20)36-3)37-17-24(33)32-13-11-31(12-14-32)18-7-5-4-6-8-18/h4-10,15-16,28H,11-14,17H2,1-3H3
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7.08E+3n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 16: 2852-69 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410718
PNG
(CHEMBL201721)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-20(18)21(28)26(2)22(25)29)14-8-10-16(11-9-14)30-13-19(27)23-15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,23,27)
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n/an/an/a 631n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency at cloned recombinant human adenosine A2A receptor transfected in CHO cells by cAMP assay


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50410718
PNG
(CHEMBL201721)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-20(18)21(28)26(2)22(25)29)14-8-10-16(11-9-14)30-13-19(27)23-15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,23,27)
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n/an/an/a 631n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency against adenosine A2A receptor of Sprague-Dawley rat aortic smooth muscle


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410718
PNG
(CHEMBL201721)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-20(18)21(28)26(2)22(25)29)14-8-10-16(11-9-14)30-13-19(27)23-15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,23,27)
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n/an/an/a 52.5n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency against adenosine A2B receptor of guinea pig thoracic aortic smooth muscle


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50410670
PNG
(CHEMBL199446)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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n/an/an/a 51.3n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency against adenosine A2A receptor of Sprague-Dawley rat aortic smooth muscle


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410718
PNG
(CHEMBL201721)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-20(18)21(28)26(2)22(25)29)14-8-10-16(11-9-14)30-13-19(27)23-15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,23,27)
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n/an/an/a 10n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency at cloned recombinant human adenosine A2B receptor transfected in CHO cells by cAMP assay


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410670
PNG
(CHEMBL199446)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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n/an/an/a 5.62n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency against adenosine A2B receptor of guinea pig thoracic aortic smooth muscle


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50410670
PNG
(CHEMBL199446)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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n/an/an/a 3.98n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency at cloned recombinant human adenosine A2B receptor transfected in CHO cells by cAMP assay


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50410670
PNG
(CHEMBL199446)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22(26)30)13-3-9-16(10-4-13)31-12-19(28)24-15-7-5-14(23)6-8-15/h3-11,25H,12H2,1-2H3,(H,24,28)
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n/an/an/a 57.5n/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antagonist potency at cloned recombinant human adenosine A2A receptor transfected in CHO cells by cAMP assay


J Med Chem 49: 282-99 (2006)

More data for this
Ligand-Target Pair