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92 similar compounds to monomer 50410718

Wt: 503.5
BDBM50003079
Wt: 472.5
BDBM50003082
Wt: 487.5
BDBM50003099
Wt: 498.5
BDBM50003100
Wt: 475.4
BDBM50003102
Wt: 489.5
BDBM50003104
Wt: 541.5
BDBM50003115
Wt: 491.5
BDBM50003217
Wt: 501.5
BDBM50003219
Wt: 552.4
BDBM50003225
Wt: 503.5
BDBM50003224
Wt: 507.9
BDBM50003226
Wt: 487.5
BDBM50003084
Wt: 474.5
BDBM50003090
Wt: 507.9
BDBM50003128
Displayed 1 to 15 (of 92 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50003079,50003082,50003099,50003100,50003102,50003104,50003115,50003217,50003219,50003225,50003224,50003226,50003084,50003090,50003128   
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))
BDBM50003226
PNG
(CHEMBL261056)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H26ClN5O4/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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3.40n/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))
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))
BDBM50003115
PNG
(CHEMBL412063)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H26F3N5O4/c1-32-22-15-21(31-24(22)25(37)33(2)26(32)38)17-3-9-20(10-4-17)39-16-23(36)35-13-11-34(12-14-35)19-7-5-18(6-8-19)27(28,29)30/h3-10,15,31H,11-14,16H2,1-2H3
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4.20n/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))
BDBM50003128
PNG
(CHEMBL262333)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2Cl)cc1
Show InChI InChI=1S/C26H26ClN5O4/c1-29-22-15-20(28-24(22)25(34)30(2)26(29)35)17-7-9-18(10-8-17)36-16-23(33)32-13-11-31(12-14-32)21-6-4-3-5-19(21)27/h3-10,15,28H,11-14,16H2,1-2H3
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6.30n/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))
BDBM50003100
PNG
(CHEMBL410297)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H26N6O4/c1-30-23-15-22(29-25(23)26(35)31(2)27(30)36)19-5-9-21(10-6-19)37-17-24(34)33-13-11-32(12-14-33)20-7-3-18(16-28)4-8-20/h3-10,15,29H,11-14,17H2,1-2H3
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6.30n/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))
BDBM50003217
PNG
(CHEMBL259733)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FN5O4/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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9.5n/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))
BDBM50003082
PNG
(CHEMBL259869)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O4/c1-29-23-16-22(28-25(23)26(33)30(2)27(29)34)20-8-10-21(11-9-20)35-17-24(32)31-14-12-19(13-15-31)18-6-4-3-5-7-18/h3-11,16,19,28H,12-15,17H2,1-2H3
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12n/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))
BDBM50003224
PNG
(CHEMBL259529)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H29N5O5/c1-29-23-16-22(28-25(23)26(34)30(2)27(29)35)18-4-8-21(9-5-18)37-17-24(33)32-14-12-31(13-15-32)19-6-10-20(36-3)11-7-19/h4-11,16,28H,12-15,17H2,1-3H3
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13n/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))
BDBM50003102
PNG
(CHEMBL263895)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C24H25N7O4/c1-28-19-14-18(27-21(19)22(33)29(2)24(28)34)16-4-6-17(7-5-16)35-15-20(32)30-10-12-31(13-11-30)23-25-8-3-9-26-23/h3-9,14,27H,10-13,15H2,1-2H3
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13n/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))
BDBM50003099
PNG
(CHEMBL409726)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C27H29N5O4/c1-18(25(33)32-15-13-31(14-16-32)20-7-5-4-6-8-20)36-21-11-9-19(10-12-21)22-17-23-24(28-22)26(34)30(3)27(35)29(23)2/h4-12,17-18,28H,13-16H2,1-3H3
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20n/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))
BDBM50003104
PNG
(CHEMBL409725)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-28-22-15-21(27-24(22)25(34)29(2)26(28)35)17-3-9-20(10-4-17)36-16-23(33)31-13-11-30(12-14-31)18-5-7-19(32)8-6-18/h3-10,15,27,32H,11-14,16H2,1-2H3
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28n/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))
BDBM50003219
PNG
(CHEMBL411720)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C28H31N5O4/c1-28(2,26(35)33-16-14-32(15-17-33)20-8-6-5-7-9-20)37-21-12-10-19(11-13-21)22-18-23-24(29-22)25(34)31(4)27(36)30(23)3/h5-13,18,29H,14-17H2,1-4H3
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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))
BDBM50003084
PNG
(CHEMBL259913)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H29N5O4/c1-29-23-16-22(28-25(23)26(34)30(2)27(29)35)20-8-10-21(11-9-20)36-18-24(33)32-14-12-31(13-15-32)17-19-6-4-3-5-7-19/h3-11,16,28H,12-15,17-18H2,1-2H3
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54n/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))
BDBM50003079
PNG
(CHEMBL259912)
Show SMILES COc1cc(ccc1OCC(=O)N1CCN(CC1)c1ccccc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H29N5O5/c1-29-21-16-20(28-25(21)26(34)30(2)27(29)35)18-9-10-22(23(15-18)36-3)37-17-24(33)32-13-11-31(12-14-32)19-7-5-4-6-8-19/h4-10,15-16,28H,11-14,17H2,1-3H3
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58n/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))
BDBM50003090
PNG
(CHEMBL260495)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C25H26N6O4/c1-28-20-15-19(27-23(20)24(33)29(2)25(28)34)17-6-8-18(9-7-17)35-16-22(32)31-13-11-30(12-14-31)21-5-3-4-10-26-21/h3-10,15,27H,11-14,16H2,1-2H3
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59n/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 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 A2a


(Homo sapiens (human))
BDBM50003115
PNG
(CHEMBL412063)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H26F3N5O4/c1-32-22-15-21(31-24(22)25(37)33(2)26(32)38)17-3-9-20(10-4-17)39-16-23(36)35-13-11-34(12-14-35)19-7-5-18(6-8-19)27(28,29)30/h3-10,15,31H,11-14,16H2,1-2H3
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132n/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))
BDBM50003224
PNG
(CHEMBL259529)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H29N5O5/c1-29-23-16-22(28-25(23)26(34)30(2)27(29)35)18-4-8-21(9-5-18)37-17-24(33)32-14-12-31(13-15-32)19-6-10-20(36-3)11-7-19/h4-11,16,28H,12-15,17H2,1-3H3
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170n/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))
BDBM50003219
PNG
(CHEMBL411720)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C28H31N5O4/c1-28(2,26(35)33-16-14-32(15-17-33)20-8-6-5-7-9-20)37-21-12-10-19(11-13-21)22-18-23-24(29-22)25(34)31(4)27(36)30(23)3/h5-13,18,29H,14-17H2,1-4H3
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174n/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))
BDBM50003217
PNG
(CHEMBL259733)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26FN5O4/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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324n/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))
BDBM50003100
PNG
(CHEMBL410297)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H26N6O4/c1-30-23-15-22(29-25(23)26(35)31(2)27(30)36)19-5-9-21(10-6-19)37-17-24(34)33-13-11-32(12-14-33)20-7-3-18(16-28)4-8-20/h3-10,15,29H,11-14,17H2,1-2H3
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355n/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))
BDBM50003099
PNG
(CHEMBL409726)
Show SMILES CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C27H29N5O4/c1-18(25(33)32-15-13-31(14-16-32)20-7-5-4-6-8-20)36-21-11-9-19(10-12-21)22-17-23-24(28-22)26(34)30(3)27(35)29(23)2/h4-12,17-18,28H,13-16H2,1-3H3
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355n/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))
BDBM50003128
PNG
(CHEMBL262333)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2Cl)cc1
Show InChI InChI=1S/C26H26ClN5O4/c1-29-22-15-20(28-24(22)25(34)30(2)26(29)35)17-7-9-18(10-8-17)36-16-23(33)32-13-11-31(12-14-32)21-6-4-3-5-19(21)27/h3-10,15,28H,11-14,16H2,1-2H3
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355n/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))
BDBM50003226
PNG
(CHEMBL261056)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H26ClN5O4/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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398n/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))
BDBM50003102
PNG
(CHEMBL263895)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C24H25N7O4/c1-28-19-14-18(27-21(19)22(33)29(2)24(28)34)16-4-6-17(7-5-16)35-15-20(32)30-10-12-31(13-11-30)23-25-8-3-9-26-23/h3-9,14,27H,10-13,15H2,1-2H3
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417n/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))
BDBM50003104
PNG
(CHEMBL409725)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-28-22-15-21(27-24(22)25(34)29(2)26(28)35)17-3-9-20(10-4-17)36-16-23(33)31-13-11-30(12-14-31)18-5-7-19(32)8-6-18/h3-10,15,27,32H,11-14,16H2,1-2H3
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617n/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))
BDBM50003090
PNG
(CHEMBL260495)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C25H26N6O4/c1-28-20-15-19(27-23(20)24(33)29(2)25(28)34)17-6-8-18(9-7-17)35-16-22(32)31-13-11-30(12-14-31)21-5-3-4-10-26-21/h3-10,15,27H,11-14,16H2,1-2H3
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708n/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))
BDBM50003082
PNG
(CHEMBL259869)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O4/c1-29-23-16-22(28-25(23)26(33)30(2)27(29)34)20-8-10-21(11-9-20)35-17-24(32)31-14-12-19(13-15-31)18-6-4-3-5-7-18/h3-11,16,19,28H,12-15,17H2,1-2H3
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794n/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))
BDBM50003079
PNG
(CHEMBL259912)
Show SMILES COc1cc(ccc1OCC(=O)N1CCN(CC1)c1ccccc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C27H29N5O5/c1-29-21-16-20(28-25(21)26(34)30(2)27(29)35)18-9-10-22(23(15-18)36-3)37-17-24(33)32-13-11-31(12-14-32)19-7-5-4-6-8-19/h4-10,15-16,28H,11-14,17H2,1-3H3
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1.45E+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))
BDBM50003084
PNG
(CHEMBL259913)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H29N5O4/c1-29-23-16-22(28-25(23)26(34)30(2)27(29)35)20-8-10-21(11-9-20)36-18-24(33)32-14-12-31(13-15-32)17-19-6-4-3-5-7-19/h3-11,16,28H,12-15,17-18H2,1-2H3
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1.55E+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