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23 similar compounds to monomer 21196

Compile data set for download or QSAR
Wt: 395.4
BDBM21175
Purchase
Wt: 395.4
BDBM21177
Wt: 409.4
BDBM21178
Wt: 423.5
BDBM21192
Wt: 423.5
BDBM21193
Wt: 451.5
BDBM21194
Wt: 451.5
BDBM21195
Wt: 437.4
BDBM21197
Wt: 396.4
BDBM21198
Wt: 410.4
BDBM21199
Wt: 424.4
BDBM21200
Wt: 408.4
BDBM21201
Wt: 380.4
BDBM21202
Wt: 423.5
BDBM21203
Wt: 423.5
BDBM21204
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 21175,21177,21178,21192,21193,21194,21195,21197,21198,21199,21200,21201,21202,21203,21204   
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))
BDBM21195
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1
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1.5 -11.9n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells


J Med Chem 51: 400-6 (2008)


Article DOI: 10.1021/jm070623o
BindingDB Entry DOI: 10.7270/Q2WH2PQ9
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 -11.7n/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 A2


(Homo sapiens (Human))
BDBM21197
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31)
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3.60 -11.4n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21203
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m0/s1
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3.70 -11.4n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21204
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m1/s1
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4 -11.3n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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5.40 -11.2n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21198
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27)
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5.70 -11.1n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21199
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C21H26N6O3/c1-14-11-15(2)27(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(28)13-26-7-4-9-29-10-8-26/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,23,24,28)
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6 -11.1n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21202
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C20H24N6O2/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-8-4-5-9-25)22-20(23-18)16-7-6-15(3)28-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22,23,27)
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8.60 -10.9n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21193
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N7O2/c1-15-12-16(2)29(26-15)20-13-19(24-22(25-20)18-7-6-17(3)31-18)23-21(30)14-28-9-5-8-27(4)10-11-28/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
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10 -10.8n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21194
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m1/s1
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10 -10.8n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21192
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N7O2/c1-5-27-8-10-28(11-9-27)14-21(30)23-19-13-20(29-16(3)12-15(2)26-29)25-22(24-19)18-7-6-17(4)31-18/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
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11 -10.7n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 -10.7n/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 A2


(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 -10.7n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 -10.6n/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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from rat recombinant adenosine A2A receptor expressed in CHO cells


J Med Chem 51: 400-6 (2008)


Article DOI: 10.1021/jm070623o
BindingDB Entry DOI: 10.7270/Q2WH2PQ9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21195
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1
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14 -10.6n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21200
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O3/c1-14-11-15(2)28(26-14)20-12-19(24-22(25-20)18-6-5-16(3)31-18)23-21(29)13-27-9-7-17(30-4)8-10-27/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,23,24,25,29)
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15 -10.6n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21193
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N7O2/c1-15-12-16(2)29(26-15)20-13-19(24-22(25-20)18-7-6-17(3)31-18)23-21(30)14-28-9-5-8-27(4)10-11-28/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
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46.7 -9.89n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21195
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1
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71n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21194
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m1/s1
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87 -9.53n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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103n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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131 -9.29n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21203
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m0/s1
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160n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21197
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31)
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170 -9.14n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21199
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C21H26N6O3/c1-14-11-15(2)27(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(28)13-26-7-4-9-29-10-8-26/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,23,24,28)
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230n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21204
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m1/s1
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262n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21192
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N7O2/c1-5-27-8-10-28(11-9-27)14-21(30)23-19-13-20(29-16(3)12-15(2)26-29)25-22(24-19)18-7-6-17(4)31-18/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
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270 -8.86n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21202
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C20H24N6O2/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-8-4-5-9-25)22-20(23-18)16-7-6-15(3)28-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22,23,27)
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347n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
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 -8.65n/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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21198
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27)
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430n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21198
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27)
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500n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21197
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31)
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540n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21199
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C21H26N6O3/c1-14-11-15(2)27(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(28)13-26-7-4-9-29-10-8-26/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,23,24,28)
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630n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
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 -8.19n/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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850n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21194
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m1/s1
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890n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21203
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m0/s1
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940n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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1.02E+3n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21200
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O3/c1-14-11-15(2)28(26-14)20-12-19(24-22(25-20)18-6-5-16(3)31-18)23-21(29)13-27-9-7-17(30-4)8-10-27/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,23,24,25,29)
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1.21E+3n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21200
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O3/c1-14-11-15(2)28(26-14)20-12-19(24-22(25-20)18-6-5-16(3)31-18)23-21(29)13-27-9-7-17(30-4)8-10-27/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,23,24,25,29)
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1.60E+3n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
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 -7.79n/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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1.73E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293 cells


J Med Chem 51: 400-6 (2008)


Article DOI: 10.1021/jm070623o
BindingDB Entry DOI: 10.7270/Q2WH2PQ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21192
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N7O2/c1-5-27-8-10-28(11-9-27)14-21(30)23-19-13-20(29-16(3)12-15(2)26-29)25-22(24-19)18-7-6-17(4)31-18/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
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1.88E+3n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21193
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N7O2/c1-15-12-16(2)29(26-15)20-13-19(24-22(25-20)18-7-6-17(3)31-18)23-21(30)14-28-9-5-8-27(4)10-11-28/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
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2.10E+3n/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: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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n/an/a 950n/an/an/an/an/an/a



Neuroscience



Assay Description
A preclinical assay was used to determine whether drug candidates inhibit hERG by examining their ability to block the potassium tail currents in HEK...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM21193
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N7O2/c1-15-12-16(2)29(26-15)20-13-19(24-22(25-20)18-7-6-17(3)31-18)23-21(30)14-28-9-5-8-27(4)10-11-28/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30)
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n/an/a 285n/an/an/an/an/an/a



Neuroscience



Assay Description
A preclinical assay was used to determine whether drug candidates inhibit hERG by examining their ability to block the potassium tail currents in HEK...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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n/an/a 4.17E+3n/an/an/an/an/an/a



Neuroscience



Assay Description
A preclinical assay was used to determine whether drug candidates inhibit hERG by examining their ability to block the potassium tail currents in HEK...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM21203
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Neuroscience



Assay Description
A preclinical assay was used to determine whether drug candidates inhibit hERG by examining their ability to block the potassium tail currents in HEK...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair