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41 similar compounds to monomer 106378

Compile data set for download or QSAR
Wt: 388.3
BDBM106371
Wt: 402.4
BDBM106372
Wt: 416.4
BDBM106373
Wt: 430.4
BDBM106374
Wt: 414.3
BDBM106375
Wt: 414.3
BDBM106376
Wt: 458.8
BDBM106377
Wt: 469.4
BDBM106380
Wt: 469.4
BDBM106381
Wt: 550.3
BDBM106382
Wt: 439.4
BDBM106384
Wt: 362.4
BDBM50195990
Wt: 378.4
BDBM50195996
Wt: 364.3
BDBM50196005
Wt: 348.3
BDBM50196010
Displayed 1 to 15 (of 41 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 106371,106372,106373,106374,106375,106376,106377,106380,106381,106382,106384,50195990,50195996,50196005,50196010   
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))
BDBM106372
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H19FN6O/c23-17-12-5-4-9-16(17)13-29-21-18(27-28-29)20(26-22(30)15-10-6-11-15)24-19(25-21)14-7-2-1-3-8-14/h1-5,7-9,12,15H,6,10-11,13H2,(H,24,25,26,30)
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0.710n/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))
BDBM106373
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H21FN6O/c24-18-13-7-6-12-17(18)14-30-22-19(28-29-30)21(27-23(31)16-10-4-5-11-16)25-20(26-22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,25,26,27,31)
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1.40n/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))
BDBM106374
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H23FN6O/c25-19-14-8-7-13-18(19)15-31-23-20(29-30-31)22(28-24(32)17-11-5-2-6-12-17)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,26,27,28,32)
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2.10n/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))
BDBM106376
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccoc3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H15FN6O2/c23-17-9-5-4-8-15(17)12-29-21-18(27-28-29)20(26-22(30)16-10-11-31-13-16)24-19(25-21)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25,26,30)
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2.30n/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 A1 receptor


(BOVINE)
BDBM50195990
PNG
(3-(2-fluorobenzyl)-5-phenyl-N-propyl-3H-[1,2,3]tri...)
Show SMILES CCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C20H19FN6/c1-2-12-22-19-17-20(24-18(23-19)14-8-4-3-5-9-14)27(26-25-17)13-15-10-6-7-11-16(15)21/h3-11H,2,12-13H2,1H3,(H,22,23,24)
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3.20n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor


Eur J Med Chem 42: 1-9 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.014
BindingDB Entry DOI: 10.7270/Q28C9VW9
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50195996
PNG
(3-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)
Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C20H19FN6O/c21-16-10-5-4-9-15(16)13-27-20-17(25-26-27)19(22-11-6-12-28)23-18(24-20)14-7-2-1-3-8-14/h1-5,7-10,28H,6,11-13H2,(H,22,23,24)
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3.70n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor


Eur J Med Chem 42: 1-9 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.014
BindingDB Entry DOI: 10.7270/Q28C9VW9
More data for this
Ligand-Target Pair
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))
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 A1 receptor


(BOVINE)
BDBM50196010
PNG
(3-(2-fluorobenzyl)-N-ethyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES CCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C19H17FN6/c1-2-21-18-16-19(23-17(22-18)13-8-4-3-5-9-13)26(25-24-16)12-14-10-6-7-11-15(14)20/h3-11H,2,12H2,1H3,(H,21,22,23)
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11n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor


Eur J Med Chem 42: 1-9 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.014
BindingDB Entry DOI: 10.7270/Q28C9VW9
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 A2


(Homo sapiens (Human))
BDBM106380
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C24H16FN7O3/c25-19-12-5-4-9-17(19)14-31-23-20(29-30-31)22(26-21(27-23)15-7-2-1-3-8-15)28-24(33)16-10-6-11-18(13-16)32(34)35/h1-13H,14H2,(H,26,27,28,33)
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28n/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))
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 A1 receptor


(BOVINE)
BDBM50196005
PNG
(2-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)
Show SMILES OCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C19H17FN6O/c20-15-9-5-4-8-14(15)12-26-19-16(24-25-26)18(21-10-11-27)22-17(23-19)13-6-2-1-3-7-13/h1-9,27H,10-12H2,(H,21,22,23)
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54n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor


Eur J Med Chem 42: 1-9 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.014
BindingDB Entry DOI: 10.7270/Q28C9VW9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM106372
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H19FN6O/c23-17-12-5-4-9-16(17)13-29-21-18(27-28-29)20(26-22(30)15-10-6-11-15)24-19(25-21)14-7-2-1-3-8-14/h1-5,7-9,12,15H,6,10-11,13H2,(H,24,25,26,30)
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72n/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))
BDBM106376
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccoc3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H15FN6O2/c23-17-9-5-4-8-15(17)12-29-21-18(27-28-29)20(26-22(30)16-10-11-31-13-16)24-19(25-21)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25,26,30)
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91n/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 A3


(Homo sapiens (Human))
BDBM106373
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H21FN6O/c24-18-13-7-6-12-17(18)14-30-22-19(28-29-30)21(27-23(31)16-10-4-5-11-16)25-20(26-22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,25,26,27,31)
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190n/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))
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 A3


(Homo sapiens (Human))
BDBM106374
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H23FN6O/c25-19-14-8-7-13-18(19)15-31-23-20(29-30-31)22(28-24(32)17-11-5-2-6-12-17)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,26,27,28,32)
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413n/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 A1 receptor


(BOVINE)
BDBM50195990
PNG
(3-(2-fluorobenzyl)-5-phenyl-N-propyl-3H-[1,2,3]tri...)
Show SMILES CCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C20H19FN6/c1-2-12-22-19-17-20(24-18(23-19)14-8-4-3-5-9-14)27(26-25-17)13-15-10-6-7-11-16(15)21/h3-11H,2,12-13H2,1H3,(H,22,23,24)
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3.20E+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
Adenosine A1 receptor


(BOVINE)
BDBM50195996
PNG
(3-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)
Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C20H19FN6O/c21-16-10-5-4-9-15(16)13-27-20-17(25-26-27)19(22-11-6-12-28)23-18(24-20)14-7-2-1-3-8-14/h1-5,7-10,28H,6,11-13H2,(H,22,23,24)
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3.70E+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
Adenosine A1 receptor


(BOVINE)
BDBM50196010
PNG
(3-(2-fluorobenzyl)-N-ethyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES CCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C19H17FN6/c1-2-21-18-16-19(23-17(22-18)13-8-4-3-5-9-13)26(25-24-16)12-14-10-6-7-11-15(14)20/h3-11H,2,12H2,1H3,(H,21,22,23)
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1.10E+7n/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
Adenosine A1 receptor


(BOVINE)
BDBM50196005
PNG
(2-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)
Show SMILES OCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C19H17FN6O/c20-15-9-5-4-8-14(15)12-26-19-16(24-25-26)18(21-10-11-27)22-17(23-19)13-6-2-1-3-7-13/h1-9,27H,10-12H2,(H,21,22,23)
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5.40E+7n/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