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Patent code US8796284

Compile Data Set for Download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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 A2a


(Homo sapiens (Human))		BDBM128311
PNG
(US8796284, 93)
Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1
Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
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US Patent
 1 -51.4n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128297
PNG
(US8796284, 4)
Show SMILES Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)
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US Patent
 6 -46.9n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128307
PNG
(US8796284, 38)
Show SMILES CC(C)Sc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C10H12BrN5S/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15)
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US Patent
 7 -46.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128310
PNG
(US8796284, 48)
Show SMILES Nc1nc(nc(c1C#N)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17)
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US Patent
 7 -46.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128306
PNG
(US8796284, 36)
Show SMILES CCSc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H10BrN5S/c1-2-16-8-6(10)7(11)13-9(14-8)15-5-3-4-12-15/h3-5H,2H2,1H3,(H2,11,13,14)
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 8 -46.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128305
PNG
(US8796284, 29)
Show SMILES Nc1nc(nc(NCC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-5-1-4-15-18)17-10(8)14-6-7-2-3-7/h1,4-5,7H,2-3,6H2,(H3,13,14,16,17)
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 10 -45.7n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128296
PNG
(US8796284, 3)
Show SMILES Nc1nc(nc(N2CCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16)
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 11 -45.4n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128311
PNG
(US8796284, 93)
Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1
Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
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US Patent
 12 -47.0n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128295
PNG
(US8796284, 1)
Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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 12 -45.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128308
PNG
(US8796284, 44)
Show SMILES Nc1nc(nc(OCC(F)(F)F)c1Br)-n1cccn1
Show InChI InChI=1S/C9H7BrF3N5O/c10-5-6(14)16-8(18-3-1-2-15-18)17-7(5)19-4-9(11,12)13/h1-3H,4H2,(H2,14,16,17)
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US Patent
 14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128298
PNG
(US8796284, 5)
Show SMILES Nc1nc(nc(N2CCCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17)
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 14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128303
PNG
(US8796284, 20)
Show SMILES COC[C@H]1CCCN1c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1
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 14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128304
PNG
(US8796284, 24)
Show SMILES CNc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C8H9BrN6/c1-11-7-5(9)6(10)13-8(14-7)15-4-2-3-12-15/h2-4H,1H3,(H3,10,11,13,14)
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 16 -44.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128309
PNG
(US8796284, 46)
Show SMILES Nc1nc(nc(c1Cl)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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US Patent
 17 -44.3n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128299
PNG
(US8796284, 8)
Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)
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 18 -44.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128301
PNG
(US8796284, 10)
Show SMILES Nc1nc(nc(NC2CCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17)
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 21 -43.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128295
PNG
(US8796284, 1)
Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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US Patent
 25 -45.1n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128300
PNG
(US8796284, 9)
Show SMILES Nc1nc(nc(N2CCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15)
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 33 -42.7n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128302
PNG
(US8796284, 13)
Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)
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 35 -42.6n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128302
PNG
(US8796284, 13)
Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)
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 50 -43.3n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM128299
PNG
(US8796284, 8)
Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)
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 60 -42.9n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...

US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%