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PubMed code 18307292

Compile data set for download or QSAR
Found 34 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))		BDBM21174
PNG
(CHEMBL398272 | N-[2-(furan-2-yl)-6-(1,3-thiazol-2-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1
Show InChI InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25)
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PubMed
 0.900 -51.1n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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PubMed
 1.60 -49.7n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21175
PNG
(CHEMBL252171 | N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C20H25N7O2/c1-14-11-15(2)27(24-14)18-12-17(22-20(23-18)16-5-4-10-29-16)21-19(28)13-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,23,28)
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 2 -49.2n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21172
PNG
(CHEMBL251975 | N-[2-(furan-2-yl)-6-(1H-pyrazol-1-y...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
Show InChI InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26)
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 2.70 -48.4n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21188
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)
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 9n/an/an/an/an/an/an/an/a



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21178
PNG
(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C21H27N7O2/c1-14-11-15(2)28(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(29)13-27-9-7-26(4)8-10-27/h5-6,11-12H,7-10,13H2,1-4H3,(H,22,23,24,29)
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 12 -44.8n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21177
PNG
(N-[6-(5-methyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1
Show InChI InChI=1S/C20H25N7O2/c1-14-6-7-21-27(14)18-12-17(23-20(24-18)16-5-4-15(2)29-16)22-19(28)13-26-10-8-25(3)9-11-26/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24,28)
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 14 -44.4n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21185
PNG
(2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1
Show InChI InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26)
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 17 -43.9n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21180
PNG
(2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1
Show InChI InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27)
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 24 -43.1n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21187
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-y...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30)
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 25.5n/an/an/an/an/an/an/an/a



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21182
PNG
(CHEMBL270761 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1
Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)
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 27 -42.8n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21179
PNG
(N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyri...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1
Show InChI InChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26)
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 51 -41.2n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21186
PNG
(2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1
Show InChI InChI=1S/C19H22N8O/c1-25-9-11-26(12-10-25)14-18(28)22-16-13-17(27-8-4-7-21-27)24-19(23-16)15-5-2-3-6-20-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24,28)
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 53.4n/an/an/an/an/an/an/an/a



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21181
PNG
(N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-me...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1
Show InChI InChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27)
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 131 -38.9n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21176
PNG
(N-[2-(5-methylfuran-2-yl)-6-(1H-pyrazol-1-yl)pyrim...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1
Show InChI InChI=1S/C19H23N7O2/c1-14-4-5-15(28-14)19-22-16(12-17(23-19)26-7-3-6-20-26)21-18(27)13-25-10-8-24(2)9-11-25/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,23,27)
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 135 -38.8n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21184
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(4-methyl-1,...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1
Show InChI InChI=1S/C20H26N8O2/c1-13-9-14(2)28(25-13)20-22-16(19-15(3)21-12-30-19)10-17(24-20)23-18(29)11-27-7-5-26(4)6-8-27/h9-10,12H,5-8,11H2,1-4H3,(H,22,23,24,29)
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 190 -38.0n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21174
PNG
(CHEMBL398272 | N-[2-(furan-2-yl)-6-(1,3-thiazol-2-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1
Show InChI InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25)
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 220 -37.6n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21172
PNG
(CHEMBL251975 | N-[2-(furan-2-yl)-6-(1H-pyrazol-1-y...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
Show InChI InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26)
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 270 -37.1n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21180
PNG
(2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1
Show InChI InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27)
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 389 -36.2n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21177
PNG
(N-[6-(5-methyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1
Show InChI InChI=1S/C20H25N7O2/c1-14-6-7-21-27(14)18-12-17(23-20(24-18)16-5-4-15(2)29-16)22-19(28)13-26-10-8-25(3)9-11-26/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24,28)
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 390 -36.2n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21179
PNG
(N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyri...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1
Show InChI InChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26)
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 720 -34.7n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21176
PNG
(N-[2-(5-methylfuran-2-yl)-6-(1H-pyrazol-1-yl)pyrim...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1
Show InChI InChI=1S/C19H23N7O2/c1-14-4-5-15(28-14)19-22-16(12-17(23-19)26-7-3-6-20-26)21-18(27)13-25-10-8-24(2)9-11-25/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,23,27)
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 850 -34.3n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21178
PNG
(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C21H27N7O2/c1-14-11-15(2)28(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(29)13-27-9-7-26(4)8-10-27/h5-6,11-12H,7-10,13H2,1-4H3,(H,22,23,24,29)
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 850 -34.3n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21185
PNG
(2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1
Show InChI InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26)
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 850 -34.3n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21186
PNG
(2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1
Show InChI InChI=1S/C19H22N8O/c1-25-9-11-26(12-10-25)14-18(28)22-16-13-17(27-8-4-7-21-27)24-19(23-16)15-5-2-3-6-20-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24,28)
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 930 -34.1n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21183
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-oxazol-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1
Show InChI InChI=1S/C19H24N8O2/c1-13-8-14(2)27(24-13)19-21-15(16-10-20-12-29-16)9-17(23-19)22-18(28)11-26-6-4-25(3)5-7-26/h8-10,12H,4-7,11H2,1-3H3,(H,21,22,23,28)
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 1.00E+3 -33.9n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21182
PNG
(CHEMBL270761 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1
Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)
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 1.70E+3 -32.6n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21175
PNG
(CHEMBL252171 | N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C20H25N7O2/c1-14-11-15(2)27(24-14)18-12-17(22-20(23-18)16-5-4-10-29-16)21-19(28)13-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,23,28)
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 1.70E+3 -32.6n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21188
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)
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 2.00E+3 -32.2n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21181
PNG
(N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-me...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1
Show InChI InChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27)
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 4.20E+3 -30.4n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21187
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-y...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30)
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 4.40E+3 -30.3n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21183
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-oxazol-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1
Show InChI InChI=1S/C19H24N8O2/c1-13-8-14(2)27(24-13)19-21-15(16-10-20-12-29-16)9-17(23-19)22-18(28)11-26-6-4-25(3)5-7-26/h8-10,12H,4-7,11H2,1-3H3,(H,21,22,23,28)
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21184
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(4-methyl-1,...)
Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1
Show InChI InChI=1S/C20H26N8O2/c1-13-9-14(2)28(25-13)20-22-16(19-15(3)21-12-30-19)10-17(24-20)23-18(29)11-27-7-5-26(4)6-8-27/h9-10,12H,5-8,11H2,1-4H3,(H,22,23,24,29)
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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n/an/an/a 0.220n/an/an/an/an/a



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...

J Med Chem 51: 1719-29 (2008)


Article DOI: 10.1021/jm701185v
BindingDB Entry DOI: 10.7270/Q2W66J2J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%