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25 similar compounds to monomer 106372

Compile data set for download or QSAR
Wt: 388.3
BDBM106371
Wt: 416.4
BDBM106373
Wt: 430.4
BDBM106374
Wt: 458.8
BDBM106377
Wt: 442.4
BDBM106378
Wt: 550.3
BDBM106382
Wt: 439.4
BDBM106384
Wt: 404.4
BDBM50196024
Wt: 362.4
BDBM50195990
Wt: 378.4
BDBM50195995
Wt: 378.4
BDBM50195996
Wt: 360.3
BDBM50195998
Wt: 402.4
BDBM50196002
Wt: 388.4
BDBM50196003
Wt: 364.3
BDBM50196005
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 106371,106373,106374,106377,106378,106382,106384,50196024,50195990,50195995,50195996,50195998,50196002,50196003,50196005   
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 A1 receptor


(BOVINE)
BDBM50196002
PNG
(3-(2-fluorobenzyl)-N-cyclohexyl-5-phenyl-3H-[1,2,3...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H23FN6/c24-19-14-8-7-11-17(19)15-30-23-20(28-29-30)22(25-18-12-5-2-6-13-18)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,25,26,27)
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1.15n/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))
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 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 A1 receptor


(BOVINE)
BDBM50195995
PNG
(1-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)
Show SMILES CC(O)CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C20H19FN6O/c1-13(28)11-22-19-17-20(24-18(23-19)14-7-3-2-4-8-14)27(26-25-17)12-15-9-5-6-10-16(15)21/h2-10,13,28H,11-12H2,1H3,(H,22,23,24)
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4.80n/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))
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 A1 receptor


(BOVINE)
BDBM50196003
PNG
(3-(2-fluorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26)
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6.70n/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))
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)
BDBM50195998
PNG
(3-(2-fluorobenzyl)-N-cyclopropyl-5-phenyl-3H-[1,2,...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C20H17FN6/c21-16-9-5-4-8-14(16)12-27-20-17(25-26-27)19(22-15-10-11-15)23-18(24-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,22,23,24)
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15n/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))
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 A1 receptor


(BOVINE)
BDBM50196024
PNG
(3-(2-fluorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C23H25FN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27)
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25n/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))
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 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))
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)
BDBM50196002
PNG
(3-(2-fluorobenzyl)-N-cyclohexyl-5-phenyl-3H-[1,2,3...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H23FN6/c24-19-14-8-7-11-17(19)15-30-23-20(28-29-30)22(25-18-12-5-2-6-13-18)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,25,26,27)
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1.15E+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)
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)
BDBM50195995
PNG
(1-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...)
Show SMILES CC(O)CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C20H19FN6O/c1-13(28)11-22-19-17-20(24-18(23-19)14-7-3-2-4-8-14)27(26-25-17)12-15-9-5-6-10-16(15)21/h2-10,13,28H,11-12H2,1H3,(H,22,23,24)
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4.80E+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)
BDBM50196003
PNG
(3-(2-fluorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26)
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6.70E+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)
BDBM50195998
PNG
(3-(2-fluorobenzyl)-N-cyclopropyl-5-phenyl-3H-[1,2,...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C20H17FN6/c21-16-9-5-4-8-14(16)12-27-20-17(25-26-27)19(22-15-10-11-15)23-18(24-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,22,23,24)
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1.50E+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)
BDBM50196024
PNG
(3-(2-fluorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...)
Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1
Show InChI InChI=1S/C23H25FN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27)
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2.50E+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