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22 similar compounds to monomer 26236

Wt: 307.3
BDBM26231
Wt: 308.3
BDBM26233
Wt: 337.3
BDBM26234
Wt: 355.3
BDBM26235
Wt: 338.3
BDBM26237
Wt: 324.3
BDBM26238
Wt: 323.3
BDBM50266505
Wt: 420.5
BDBM50275856
Wt: 420.5
BDBM50275858
Wt: 420.5
BDBM50275859
Wt: 335.4
BDBM50275743
Wt: 335.4
BDBM50275744
Wt: 341.3
BDBM50275745
Wt: 406.4
BDBM50275912
Wt: 406.4
BDBM50275913
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 26231,26233,26234,26235,26237,26238,50266505,50275856,50275858,50275859,50275743,50275744,50275745,50275912,50275913   
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 A2a


(Homo sapiens (human))
BDBM26235
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-...)
Show SMILES COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25)
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0.600 -12.4n/an/an/an/an/a7.422



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26234
PNG
(CHEMBL486950 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)
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0.920 -12.2n/an/an/an/an/a7.422



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26234
PNG
(CHEMBL486950 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275859
PNG
(CHEMBL472026 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C23H28N6O2/c1-15-11-16(2)29(27-15)23-25-21(13-22(26-23)24-17(3)30)18-7-5-8-19(12-18)31-20-9-6-10-28(4)14-20/h5,7-8,11-13,20H,6,9-10,14H2,1-4H3,(H,24,25,26,30)
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50266505
PNG
(CHEMBL515526 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1O
Show InChI InChI=1S/C17H17N5O2/c1-10-8-11(2)22(21-10)17-19-14(9-16(20-17)18-12(3)23)13-6-4-5-7-15(13)24/h4-9,24H,1-3H3,(H,18,19,20,23)
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PubMed
1.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


J Med Chem 52: 709-17 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275745
PNG
(CHEMBL519566 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(O)cc(F)c1
Show InChI InChI=1S/C17H16FN5O2/c1-9-4-10(2)23(22-9)17-20-15(8-16(21-17)19-11(3)24)12-5-13(18)7-14(25)6-12/h4-8,25H,1-3H3,(H,19,20,21,24)
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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 adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275913
PNG
((S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-me...)
Show SMILES CN1CC[C@@H](C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)/t19-/m0/s1
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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 adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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2.30 -11.7n/an/an/an/an/a7.422



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


J Med Chem 52: 709-17 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26238
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypy...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
Show InChI InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)
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2.90 -11.5n/an/an/an/an/a7.422



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275856
PNG
(CHEMBL471853 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CCN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C23H28N6O2/c1-5-28-10-9-20(14-28)31-19-8-6-7-18(12-19)21-13-22(24-17(4)30)26-23(25-21)29-16(3)11-15(2)27-29/h6-8,11-13,20H,5,9-10,14H2,1-4H3,(H,24,25,26,30)
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275912
PNG
((R)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-me...)
Show SMILES CN1CC[C@H](C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)/t19-/m1/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275858
PNG
(CHEMBL511159 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCC(CC1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C23H28N6O2/c1-15-12-16(2)29(27-15)23-25-21(14-22(26-23)24-17(3)30)18-6-5-7-20(13-18)31-19-8-10-28(4)11-9-19/h5-7,12-14,19H,8-11H2,1-4H3,(H,24,25,26,30)
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6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275743
PNG
(CHEMBL486351 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C19H21N5O/c1-11-6-12(2)8-16(7-11)17-10-18(20-15(5)25)22-19(21-17)24-14(4)9-13(3)23-24/h6-10H,1-5H3,(H,20,21,22,25)
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8n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50275744
PNG
(CHEMBL519554 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(C)ccc1C
Show InChI InChI=1S/C19H21N5O/c1-11-6-7-12(2)16(8-11)17-10-18(20-15(5)25)22-19(21-17)24-14(4)9-13(3)23-24/h6-10H,1-5H3,(H,20,21,22,25)
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19n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26233
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-y...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1
Show InChI InChI=1S/C16H16N6O/c1-10-8-11(2)22(21-10)16-19-14(13-4-6-17-7-5-13)9-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23)
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40 -9.98n/an/an/an/an/a7.422



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM26234
PNG
(CHEMBL486950 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)
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65n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26231
PNG
(CHEMBL487765 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23)
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87 -9.53n/an/an/an/an/a7.422



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26231
PNG
(CHEMBL487765 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23)
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87n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5402-5 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM26235
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-...)
Show SMILES COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25)
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110n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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190n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM26238
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypy...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
Show InChI InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)
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195n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM26231
PNG
(CHEMBL487765 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23)
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290n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM26233
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-y...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1
Show InChI InChI=1S/C16H16N6O/c1-10-8-11(2)22(21-10)16-19-14(13-4-6-17-7-5-13)9-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23)
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820n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



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


J Med Chem 51: 7099-7110 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26237
PNG
(CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)
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n/an/a 85n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor assessed as inhibition of CGS-21680-stimulated cAMP production


J Med Chem 52: 709-17 (2009)

More data for this
Ligand-Target Pair