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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3 (A3)'   
Target
(Institution)
LigandTarget
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 A3


(Homo sapiens (Human))
BDBM191046
PNG
(US9181253, 109)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12
Show InChI InChI=1/C15H18ClN5O2/c16-14-19-12(18-7-2-1-3-7)10-13(20-14)21(6-17-10)15-4-8(15)11(23)9(22)5-15/h6-9,11,22-23H,1-5H2,(H,18,19,20)/t8-,9-,11+,15-/s2
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US Patent
5.90n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191068
PNG
(US9181253, 115)
Show SMILES CCNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1/C13H16ClN5O2/c1-2-15-10-8-11(18-12(14)17-10)19(5-16-8)13-3-6(13)9(21)7(20)4-13/h5-7,9,20-21H,2-4H2,1H3,(H,15,17,18)/t6-,7-,9+,13-/s2
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US Patent
6.60n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191057
PNG
(US9181253, 119)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12
Show InChI InChI=1/C15H18ClN5O2/c16-14-19-12(17-5-7-1-2-7)10-13(20-14)21(6-18-10)15-3-8(15)11(23)9(22)4-15/h6-9,11,22-23H,1-5H2,(H,17,19,20)/t8-,9-,11+,15-/s2
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US Patent
8.90n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191061
PNG
(US9181253, 123)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3ccccc3OCCF)nc(Cl)nc12
Show InChI InChI=1/C20H21ClFN5O3/c21-19-25-17(23-9-11-3-1-2-4-14(11)30-6-5-22)15-18(26-19)27(10-24-15)20-7-12(20)16(29)13(28)8-20/h1-4,10,12-13,16,28-29H,5-9H2,(H,23,25,26)/t12-,13-,16+,20-/s2
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US Patent
10.3n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191055
PNG
(US9181253, 117)
Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1/C14H18ClN5O2/c1-6(2)17-11-9-12(19-13(15)18-11)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,3-4H2,1-2H3,(H,17,18,19)/t7-,8-,10+,14-/s2
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US Patent
12n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191045
PNG
(US9181253, 108)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1/C14H16ClN5O2/c15-13-18-11(17-6-1-2-6)9-12(19-13)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,1-4H2,(H,17,18,19)/t7-,8-,10+,14-/s2
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US Patent
12.1n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191062
PNG
(US9181253, 124)
Show SMILES CCOc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1/C20H22ClN5O3/c1-2-29-14-6-4-3-5-11(14)9-22-17-15-18(25-19(21)24-17)26(10-23-15)20-7-12(20)16(28)13(27)8-20/h3-6,10,12-13,16,27-28H,2,7-9H2,1H3,(H,22,24,25)/t12-,13-,16+,20-/s2
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US Patent
15.2n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191064
PNG
(US9181253, 126)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc12
Show InChI InChI=1/C18H16ClF2N5O2/c19-17-24-15(22-6-8-3-9(20)1-2-11(8)21)13-16(25-17)26(7-23-13)18-4-10(18)14(28)12(27)5-18/h1-3,7,10,12,14,27-28H,4-6H2,(H,22,24,25)/t10-,12-,14+,18-/s2
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US Patent
16.5n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191069
PNG
(US9181253, 116)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCCF)nc(Cl)nc12
Show InChI InChI=1/C13H15ClFN5O2/c14-12-18-10(16-2-1-15)8-11(19-12)20(5-17-8)13-3-6(13)9(22)7(21)4-13/h5-7,9,21-22H,1-4H2,(H,16,18,19)/t6-,7-,9+,13-/s2
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US Patent
32.4n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191066
PNG
(US9181253, 128)
Show SMILES OCc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1/C19H18ClF2N5O3/c20-18-25-16(23-5-8-1-11(21)12(22)2-9(8)6-28)14-17(26-18)27(7-24-14)19-3-10(19)15(30)13(29)4-19/h1-2,7,10,13,15,28-30H,3-6H2,(H,23,25,26)/t10-,13-,15+,19-/s2
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US Patent
40.4n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191060
PNG
(US9181253, 122)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12
Show InChI InChI=1/C18H17ClFN5O2/c19-17-23-15(21-7-9-3-1-2-4-11(9)20)13-16(24-17)25(8-22-13)18-5-10(18)14(27)12(26)6-18/h1-4,8,10,12,14,26-27H,5-7H2,(H,21,23,24)/t10-,12-,14+,18-/s2
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US Patent
41.5n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191056
PNG
(US9181253, 118)
Show SMILES CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1/C16H22ClN5O2/c1-3-8(4-2)19-13-11-14(21-15(17)20-13)22(7-18-11)16-5-9(16)12(24)10(23)6-16/h7-10,12,23-24H,3-6H2,1-2H3,(H,19,20,21)/t9-,10-,12+,16-/s2
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52n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191065
PNG
(US9181253, 127)
Show SMILES OCc1ccc(F)c(F)c1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1/C19H18ClF2N5O3/c20-18-25-16(23-5-9-8(6-28)1-2-11(21)13(9)22)14-17(26-18)27(7-24-14)19-3-10(19)15(30)12(29)4-19/h1-2,7,10,12,15,28-30H,3-6H2,(H,23,25,26)/t10-,12-,15+,19-/s2
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US Patent
83.2n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191058
PNG
(US9181253, 120c)
Show SMILES CC(Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2)C1CC1
Show InChI InChI=1/C16H20ClN5O2/c1-7(8-2-3-8)19-13-11-14(21-15(17)20-13)22(6-18-11)16-4-9(16)12(24)10(23)5-16/h6-10,12,23-24H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10-,12+,16-/s2
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US Patent
110n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191063
PNG
(US9181253, 125)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc12
Show InChI InChI=1/C20H21ClFN5O3/c21-19-25-17(23-9-11-2-1-3-12(6-11)30-5-4-22)15-18(26-19)27(10-24-15)20-7-13(20)16(29)14(28)8-20/h1-3,6,10,13-14,16,28-29H,4-5,7-9H2,(H,23,25,26)/t13-,14-,16+,20-/s2
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US Patent
114n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191067
PNG
(US9181253, 107)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1/C11H12ClN5O2/c12-10-15-8(13)6-9(16-10)17(3-14-6)11-1-4(11)7(19)5(18)2-11/h3-5,7,18-19H,1-2H2,(H2,13,15,16)/t4-,5-,7+,11-/s2
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US Patent
160n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191054
PNG
(US9181253, 114)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12
Show InChI InChI=1/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/s2
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US Patent
236n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191053
PNG
(US9181253, 113)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12
Show InChI InChI=1/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/s2
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US Patent
315n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191059
PNG
(US9181253, 121)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1/C18H22ClN5O2/c19-17-22-15(21-12(8-1-2-8)9-3-4-9)13-16(23-17)24(7-20-13)18-5-10(18)14(26)11(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t10-,11-,14+,18-/s2
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US Patent
470n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191050
PNG
(US9181253, 110)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12
Show InChI InChI=1/C17H22ClN5O2/c18-16-21-14(20-9-4-2-1-3-5-9)12-15(22-16)23(8-19-12)17-6-10(17)13(25)11(24)7-17/h8-11,13,24-25H,1-7H2,(H,20,21,22)/t10-,11-,13+,17-/s2
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US Patent
500n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191051
PNG
(US9181253, 111)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12
Show InChI InChI=1/C18H24ClN5O2/c19-17-22-15(21-10-5-3-1-2-4-6-10)13-16(23-17)24(9-20-13)18-7-11(18)14(26)12(25)8-18/h9-12,14,25-26H,1-8H2,(H,21,22,23)/t11-,12-,14+,18-/s2
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US Patent
560n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175399
PNG
(1,3-Dimethyl-8-[{3-(2-(hexamethyleneimin-1-yl)-2-o...)
Show SMILES COc1ccc(cc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(31-3)16(12-14)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24)
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797n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM191052
PNG
(US9181253, 112)
Show SMILES O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12
Show InChI InChI=1/C19H26ClN5O2/c20-18-23-16(22-11-6-4-2-1-3-5-7-11)14-17(24-18)25(10-21-14)19-8-12(19)15(27)13(26)9-19/h10-13,15,26-27H,1-9H2,(H,22,23,24)/t12-,13-,15+,19-/s2
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US Patent
1.53E+3n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175398
PNG
(1,3-Dimethyl-8-[4-methoxy-3-{2-(piperidin-1-yl)-2-...)
Show SMILES COc1ccc(cc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(30-3)15(11-13)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23)
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1.97E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175381
PNG
(1,3-Dimethyl-8-[3-{2-(hexamethyleneimin-1-yl)-2-ox...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCCC2)c1
Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-10-15(22)16(27)12-30-14-9-7-8-13(11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h7-9,11,22H,4-6,10,12H2,1-3H3,(H,23,24)
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3.69E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175365
PNG
(1,3-Dimethyl-8-[3-(2-methoxy-2-oxoethoxy)-phenyl]x...)
Show SMILES COC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-5-4-6-10(7-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)
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3.81E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175402
PNG
(1,3-Dimethyl-8-[{3-(2-(imidazol-1-yl)-2-oxoethoxy)...)
Show SMILES COc1ccc(cc1OCC(=O)N1CCN=C1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C19H20N6O5/c1-23-17-15(18(27)24(2)19(23)28)21-16(22-17)11-4-5-12(29-3)13(8-11)30-9-14(26)25-7-6-20-10-25/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,22)
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4.10E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175372
PNG
(1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-ox...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24)
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4.15E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175380
PNG
(1,3-Dimethyl-8-[3-{2-(piperidin-1-yl)]-2-oxoethoxy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCC2)c1
Show InChI InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-7-6-8-14(11-13)29-12-15(26)25-9-4-3-5-10-25/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,22)
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4.16E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175379
PNG
(1,3-Dimethyl-8-[3-{2-(pyrrolidin-1-yl)-2-oxoethoxy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCC2)c1
Show InChI InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-6-5-7-13(10-12)28-11-14(25)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,21)
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4.64E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175384
PNG
(1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1
Show InChI InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21)
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4.89E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175383
PNG
(1,3-Dimethyl-8-[3-{2-(1-methylpiperazin-4-yl)-2-ox...)
Show SMILES CN1CCN(CC1)C(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C20H24N6O4/c1-23-7-9-26(10-8-23)15(27)12-30-14-6-4-5-13(11-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-6,11H,7-10,12H2,1-3H3,(H,21,22)
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5.67E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175370
PNG
(1,3-Dimethyl-8-[4-{2-(pyrrolidin-1-yl)-2-oxoethoxy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCC2)cc1
Show InChI InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(25)24-9-3-4-10-24/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)
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5.68E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175364
PNG
(1,3-Dimethyl-8-[4-(2-methoxy-2-oxoethoxy)-phenyl]x...)
Show SMILES COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-4-6-10(7-5-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18)
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5.86E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175376
PNG
(1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoetho...)
Show SMILES COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC
Show InChI InChI=1/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28)
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6.00E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175373
PNG
(1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}...)
Show SMILES CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21)
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7.11E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175382
PNG
(1,3-Dimethyl-8-[3-{2-(morpholin-1-yl)-2-oxoethoxy}...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C19H21N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-4-3-5-13(10-12)29-11-14(25)24-6-8-28-9-7-24/h3-5,10H,6-9,11H2,1-2H3,(H,20,21)
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7.90E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175369
PNG
(8-[4-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...)
Show SMILES CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)12-11-22-16(28)13-31-15-9-7-14(8-10-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-10H,5-6,11-13H2,1-4H3,(H,22,28)(H,23,24)
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8.35E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175378
PNG
(8-[3-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phen...)
Show SMILES CCN(CC)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H28N6O4/c1-5-27(6-2)11-10-22-16(28)13-31-15-9-7-8-14(12-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,22,28)(H,23,24)
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8.39E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175377
PNG
(1,3-Dimethyl-8-[3-{2-(dimethylaminoethylamino)-2-o...)
Show SMILES CN(C)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C19H24N6O4/c1-23(2)9-8-20-14(26)11-29-13-7-5-6-12(10-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-7,10H,8-9,11H2,1-4H3,(H,20,26)(H,21,22)
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8.97E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175397
PNG
(1,3-Dimethyl-8-[4-methoxy-3-{2-(pyrrolidin-1-yl)-2...)
Show SMILES COc1ccc(cc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C20H23N5O5/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-6-7-13(29-3)14(10-12)30-11-15(26)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22)
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8.98E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175390
PNG
(1,3-Dimethyl-8-[{4-(2-(hexamethyleneimin-1-yl)-2-o...)
Show SMILES COc1cc(ccc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(16(12-14)31-3)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24)
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9.01E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175385
PNG
(1,3-Dimethyl-8-[3-{2-(homoveratrylamino)-2-oxoetho...)
Show SMILES COc1ccc(CCNC(=O)COc2cccc(c2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC
Show InChI InChI=1S/C25H27N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-5-7-17(13-16)36-14-20(31)26-11-10-15-8-9-18(34-3)19(12-15)35-4/h5-9,12-13H,10-11,14H2,1-4H3,(H,26,31)(H,27,28)
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PubMed
9.25E+3n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175389
PNG
(1,3-Dimethyl-8-[3-methoxy-4-{2-(piperidin-1-yl)-2-...)
Show SMILES COc1cc(ccc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(15(11-13)30-3)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175386
PNG
(1,3-Dimethyl-8-[{4-(2-(dimethylaminoethylamino)-2-...)
Show SMILES COc1cc(ccc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-13-7-6-12(10-14(13)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175366
PNG
(1,3-Dimethyl-8-[{4-(2-methoxy-2-oxoethoxy)-3-metho...)
Show SMILES COC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(11(7-9)25-3)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175401
PNG
(1,3-Dimethyl-8-[4-methoxy-3-{2-(1-methylpiperazin-...)
Show SMILES COc1ccc(cc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C21H26N6O5/c1-24-7-9-27(10-8-24)16(28)12-32-15-11-13(5-6-14(15)31-4)18-22-17-19(23-18)25(2)21(30)26(3)20(17)29/h5-6,11H,7-10,12H2,1-4H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175374
PNG
(1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-ox...)
Show SMILES CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C
Show InChI InChI=1/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22)
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1.01E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175368
PNG
(1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-o...)
Show SMILES CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22)
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1.05E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM175367
PNG
(1,3-Dimethyl-8-[{3-(2-methoxy-2-oxoethoxy)-4-metho...)
Show SMILES COC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(25-3)11(7-9)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19)
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PubMed
1.07E+4n/an/an/an/an/an/an/an/a



Panjab University



Assay Description
Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. Al...


Bioorg Chem 65: 26-37 (2016)

More data for this
Ligand-Target Pair
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