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20 similar compounds to monomer 106376

Compile data set for download or QSAR
Wt: 388.3
BDBM106371
Wt: 414.3
BDBM106375
Wt: 458.8
BDBM106377
Wt: 442.4
BDBM106378
Wt: 469.4
BDBM106381
Wt: 550.3
BDBM106382
Wt: 439.4
BDBM106384
Wt: 436.4
BDBM50242664
Wt: 421.4
BDBM50276242
Wt: 436.4
BDBM50276107
Wt: 420.4
BDBM50276147
Wt: 421.4
BDBM50276162
Wt: 396.4
BDBM50276867
Wt: 406.4
BDBM50276868
Wt: 424.4
BDBM50276869
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 106371,106375,106377,106378,106381,106382,106384,50242664,50276242,50276107,50276147,50276162,50276867,50276868,50276869   
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 A2


(Homo sapiens (Human))
BDBM106375
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccco3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H15FN6O2/c23-16-10-5-4-9-15(16)13-29-21-18(27-28-29)20(26-22(30)17-11-6-12-31-17)24-19(25-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,26,30)
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5.5n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM106378
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H16F2N6O/c25-18-11-6-10-16(13-18)24(33)29-22-20-23(28-21(27-22)15-7-2-1-3-8-15)32(31-30-20)14-17-9-4-5-12-19(17)26/h1-13H,14H2,(H,27,28,29,33)
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5.5n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50276242
PNG
(4-amino-N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,...)
Show SMILES Nc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H19N7O/c25-19-13-11-18(12-14-19)24(32)28-22-20-23(27-21(26-22)17-9-5-2-6-10-17)31(30-29-20)15-16-7-3-1-4-8-16/h1-14H,15,25H2,(H,26,27,28,32)
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7.10n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM106371
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C21H17FN6O/c22-16-9-5-4-8-15(16)12-28-20-17(26-27-28)19(25-21(29)14-10-11-14)23-18(24-20)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,23,24,25,29)
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9.20n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50276867
PNG
(CHEMBL459772 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccoc1
Show InChI InChI=1S/C22H16N6O2/c29-22(17-11-12-30-14-17)25-20-18-21(24-19(23-20)16-9-5-2-6-10-16)28(27-26-18)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,23,24,25,29)
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10n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM106381
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H16FN7O3/c25-19-9-5-4-8-17(19)14-31-23-20(29-30-31)22(26-21(27-23)15-6-2-1-3-7-15)28-24(33)16-10-12-18(13-11-16)32(34)35/h1-13H,14H2,(H,26,27,28,33)
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14n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM106384
PNG
(N-[9-ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-...)
Show SMILES Nc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H18FN7O/c25-19-9-5-4-8-17(19)14-32-23-20(30-31-32)22(27-21(28-23)15-6-2-1-3-7-15)29-24(33)16-10-12-18(26)13-11-16/h1-13H,14,26H2,(H,27,28,29,33)
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18n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50242664
PNG
(CHEMBL455383 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-12-19(13-15-20)25(32)28-23-21-24(27-22(26-23)18-10-6-3-7-11-18)31(30-29-21)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27,28,32)
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28n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50276162
PNG
(2-amino-N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,...)
Show SMILES Nc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H19N7O/c25-19-14-8-7-13-18(19)24(32)28-22-20-23(27-21(26-22)17-11-5-2-6-12-17)31(30-29-20)15-16-9-3-1-4-10-16/h1-14H,15,25H2,(H,26,27,28,32)
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34n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50276869
PNG
(CHEMBL462104 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES Fc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H17FN6O/c25-19-14-8-7-13-18(19)24(32)28-22-20-23(27-21(26-22)17-11-5-2-6-12-17)31(30-29-20)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,26,27,28,32)
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40n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM106377
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3cccc(Cl)c3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H16ClFN6O/c25-18-11-6-10-16(13-18)24(33)29-22-20-23(28-21(27-22)15-7-2-1-3-8-15)32(31-30-20)14-17-9-4-5-12-19(17)26/h1-13H,14H2,(H,27,28,29,33)
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43n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM106382
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccc(I)cc3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H16FIN6O/c25-19-9-5-4-8-17(19)14-32-23-20(30-31-32)22(27-21(28-23)15-6-2-1-3-7-15)29-24(33)16-10-12-18(26)13-11-16/h1-13H,14H2,(H,27,28,29,33)
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92n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50276107
PNG
(CHEMBL471628 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES COc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-8-13-19(15-20)25(32)28-23-21-24(27-22(26-23)18-11-6-3-7-12-18)31(30-29-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3,(H,26,27,28,32)
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93n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50276868
PNG
(CHEMBL459980 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18N6O/c31-24(19-14-8-3-9-15-19)27-22-20-23(26-21(25-22)18-12-6-2-7-13-18)30(29-28-20)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,25,26,27,31)
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110n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50276867
PNG
(CHEMBL459772 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccoc1
Show InChI InChI=1S/C22H16N6O2/c29-22(17-11-12-30-14-17)25-20-18-21(24-19(23-20)16-9-5-2-6-10-16)28(27-26-18)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,23,24,25,29)
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161n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM106375
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccco3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H15FN6O2/c23-16-10-5-4-9-15(16)13-29-21-18(27-28-29)20(26-22(30)17-11-6-12-31-17)24-19(25-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,26,30)
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224n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM106371
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C21H17FN6O/c22-16-9-5-4-8-15(16)12-28-20-17(26-27-28)19(25-21(29)14-10-11-14)23-18(24-20)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,23,24,25,29)
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292n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50276162
PNG
(2-amino-N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,...)
Show SMILES Nc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H19N7O/c25-19-14-8-7-13-18(19)24(32)28-22-20-23(27-21(26-22)17-11-5-2-6-12-17)31(30-29-20)15-16-9-3-1-4-10-16/h1-14H,15,25H2,(H,26,27,28,32)
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297n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50276147
PNG
(CHEMBL511274 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C25H20N6O/c1-17-12-14-20(15-13-17)25(32)28-23-21-24(27-22(26-23)19-10-6-3-7-11-19)31(30-29-21)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,26,27,28,32)
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709n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50276242
PNG
(4-amino-N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,...)
Show SMILES Nc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H19N7O/c25-19-13-11-18(12-14-19)24(32)28-22-20-23(27-21(26-22)17-9-5-2-6-10-17)31(30-29-20)15-16-7-3-1-4-8-16/h1-14H,15,25H2,(H,26,27,28,32)
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926n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50276867
PNG
(CHEMBL459772 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccoc1
Show InChI InChI=1S/C22H16N6O2/c29-22(17-11-12-30-14-17)25-20-18-21(24-19(23-20)16-9-5-2-6-10-16)28(27-26-18)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,23,24,25,29)
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1.64E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50276162
PNG
(2-amino-N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,...)
Show SMILES Nc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H19N7O/c25-19-14-8-7-13-18(19)24(32)28-22-20-23(27-21(26-22)17-11-5-2-6-12-17)31(30-29-20)15-16-9-3-1-4-10-16/h1-14H,15,25H2,(H,26,27,28,32)
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4.11E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50242664
PNG
(CHEMBL455383 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-12-19(13-15-20)25(32)28-23-21-24(27-22(26-23)18-10-6-3-7-11-18)31(30-29-21)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27,28,32)
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5.29E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50276869
PNG
(CHEMBL462104 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES Fc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H17FN6O/c25-19-14-8-7-13-18(19)24(32)28-22-20-23(27-21(26-22)17-11-5-2-6-12-17)31(30-29-20)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,26,27,28,32)
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5.30E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50276107
PNG
(CHEMBL471628 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES COc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-8-13-19(15-20)25(32)28-23-21-24(27-22(26-23)18-11-6-3-7-12-18)31(30-29-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3,(H,26,27,28,32)
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5.53E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 1817-30 (2009)


Article DOI: 10.1016/j.bmc.2009.01.060
BindingDB Entry DOI: 10.7270/Q2JD4WPZ
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50242664
PNG
(CHEMBL455383 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
Show InChI InChI=1S/C25H20N6O2/c1-33-20-14-12-19(13-15-20)25(32)28-23-21-24(27-22(26-23)18-10-6-3-7-11-18)31(30-29-21)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,26,27,28,32)
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3.24E+6n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to bovine adenosine A1 receptor


Eur J Med Chem 43: 114-21 (2008)


Article DOI: 10.1016/j.ejmech.2007.02.009
BindingDB Entry DOI: 10.7270/Q2WW7JWK
More data for this
Ligand-Target Pair