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Compile Data Set for Download or QSAR

Found 309 hits with Last Name = 'joswig' and Initial = 't'   
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 A2


(Homo sapiens (Human))
BDBM26236
PNG
(CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...)
Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25)
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0.190 -54.9n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237067
PNG
(CHEMBL429125 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-9-7-18(3)36-21)27-25(33)15-35-20-10-8-19(14-31(4)5)12-22(20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33)
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0.200n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26250
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolid...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28)
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0.260 -54.2n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237075
PNG
(CHEMBL253317 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C
Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-10-7-18(3)36-21)27-25(33)15-35-20-9-8-19(14-31(4)5)22(12-20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33)
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0.300n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237083
PNG
(CHEMBL256124 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Show InChI InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33)
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0.300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237078
PNG
(CHEMBL256123 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Show InChI InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32)
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0.300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237082
PNG
(CHEMBL404863 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1
Show InChI InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-6-18(3)34-21)26-24(32)15-33-20-9-7-19(8-10-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32)
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0.300n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237065
PNG
(2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-p...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30)
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0.300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237083
PNG
(CHEMBL256124 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Show InChI InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33)
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0.300n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237078
PNG
(CHEMBL256123 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Show InChI InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32)
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0.300n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237064
PNG
(CHEMBL401895 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Show InChI InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32)
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0.400n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26256
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methox...)
Show SMILES COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30)
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PubMed
0.440 -52.9n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26255
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methox...)
Show SMILES COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28)
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0.470 -52.7n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237076
PNG
(CHEMBL256331 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Show InChI InChI=1S/C25H27FN6O3/c1-15-8-16(2)32(30-15)23-12-22(28-25(29-23)21-7-6-17(3)35-21)27-24(33)14-34-20-10-18(13-31(4)5)9-19(26)11-20/h6-12H,13-14H2,1-5H3,(H,27,28,29,33)
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0.5n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237084
PNG
(CHEMBL403846 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
Show InChI InChI=1S/C26H30N6O3/c1-17-13-18(2)32(30-17)24-15-23(28-26(29-24)22-10-9-19(3)35-22)27-25(33)16-34-21-8-6-7-20(14-21)11-12-31(4)5/h6-10,13-15H,11-12,16H2,1-5H3,(H,27,28,29,33)
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0.5n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237094
PNG
(CHEMBL256332 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C27H29FN6O3/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-7-6-19(3)37-23)29-26(35)16-36-22-12-20(11-21(28)13-22)15-33-8-4-5-9-33/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,29,30,31,35)
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0.5n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26251
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidi...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C21H25N7O/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-8-7-9-20(23-17)27-10-5-4-6-11-27/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,22,24,25,29)
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0.560 -52.3n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 -52.1n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50232154
PNG
(CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26249
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethyl...)
Show SMILES CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26)
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0.610 -52.1n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237072
PNG
(CHEMBL253528 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C23H24N6O3/c1-13-9-18(10-14(2)24-13)31-12-22(30)25-20-11-21(29-16(4)8-15(3)28-29)27-23(26-20)19-7-6-17(5)32-19/h6-11H,12H2,1-5H3,(H,25,26,27,30)
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0.700n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237065
PNG
(2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-p...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30)
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0.700n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26253
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methyl...)
Show SMILES CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30)
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0.710 -51.7n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26254
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-metho...)
Show SMILES COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28)
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0.720 -51.7n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26247
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholi...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1
Show InChI InChI=1S/C20H23N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28)
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0.830 -51.3n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237068
PNG
(CHEMBL429850 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1
Show InChI InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)22-9-7-18(3)36-22)27-25(33)15-35-21-10-8-20(34-6)12-19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33)
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0.900n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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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0.900n/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))
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 -51.1n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237088
PNG
(CHEMBL256548 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN(C)Cc1cc(C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C26H30N6O3/c1-16-7-9-21(20(11-16)14-31(5)6)34-15-25(33)27-23-13-24(32-18(3)12-17(2)30-32)29-26(28-23)22-10-8-19(4)35-22/h7-13H,14-15H2,1-6H3,(H,27,28,29,33)
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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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237085
PNG
(CHEMBL256547 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN(C)Cc1ccccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-10-18(3)34-21)26-24(32)15-33-20-9-7-6-8-19(20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32)
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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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237095
PNG
(CHEMBL256125 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C27H30N6O4/c1-18-13-19(2)33(31-18)25-15-24(29-27(30-25)23-8-7-20(3)37-23)28-26(34)17-36-22-6-4-5-21(14-22)16-32-9-11-35-12-10-32/h4-8,13-15H,9-12,16-17H2,1-3H3,(H,28,29,30,34)
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1.20n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237074
PNG
(CHEMBL256755 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C28H32N6O4/c1-19-16-20(2)34(32-19)26-17-25(30-28(31-26)24-9-8-21(3)38-24)29-27(35)18-37-23-7-5-4-6-22(23)10-11-33-12-14-36-15-13-33/h4-9,16-17H,10-15,18H2,1-3H3,(H,29,30,31,35)
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1.20n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237086
PNG
(CHEMBL256327 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C27H29FN6O4/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-5-4-19(3)38-23)29-26(35)16-37-22-12-20(11-21(28)13-22)15-33-6-8-36-9-7-33/h4-5,10-14H,6-9,15-16H2,1-3H3,(H,29,30,31,35)
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1.40n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
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 -49.9n/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 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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1.60n/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 A2


(Homo sapiens (Human))
BDBM50232156
PNG
(CHEMBL252345 | N-(2-furan-2-yl-6-pyrazol-1-yl-pyri...)
Show SMILES O=C(CN1CCOCC1)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
Show InChI InChI=1S/C17H18N6O3/c24-16(12-22-6-9-25-10-7-22)19-14-11-15(23-5-2-4-18-23)21-17(20-14)13-3-1-8-26-13/h1-5,8,11H,6-7,9-10,12H2,(H,19,20,21,24)
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1.60n/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 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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1.60n/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 A2


(Homo sapiens (Human))
BDBM50237090
PNG
(2-(3-cyanophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-...)
Show SMILES O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1
Show InChI InChI=1S/C21H14N6O2S/c22-12-14-4-3-5-15(10-14)29-13-19(28)26-18-11-17(21-24-8-9-30-21)25-20(27-18)16-6-1-2-7-23-16/h1-11H,13H2,(H,25,26,27,28)
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1.80n/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: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26241
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
Show InChI InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
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1.80 -49.4n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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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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)


Article DOI: 10.1021/jm800908d
BindingDB Entry DOI: 10.7270/Q2PG1RKR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26257
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydrox...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1
Show InChI InChI=1S/C21H25N7O2/c1-13-11-14(2)28(26-13)21-24-18(12-19(25-21)22-15(3)29)17-5-4-6-20(23-17)27-9-7-16(30)8-10-27/h4-6,11-12,16,30H,7-10H2,1-3H3,(H,22,24,25,29)
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1.90 -49.3n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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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 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 receptor A2


(Homo sapiens (Human))
BDBM21210
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C23H31N7O2/c1-15-10-16(2)30(27-15)21-11-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)14-29-9-8-18(13-29)12-28(4)5/h6-7,10-11,18H,8-9,12-14H2,1-5H3,(H,24,25,26,31)/t18-/m0/s1
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2.10 -49.0n/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: 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))
BDBM21211
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26)
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2.10 -49.0n/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: 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))
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 -48.8n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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)


Article DOI: 10.1021/jm800908d
BindingDB Entry DOI: 10.7270/Q2PG1RKR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM26252
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(1,4-oxaz...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1
Show InChI InChI=1S/C21H25N7O2/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-6-4-7-20(23-17)27-8-5-10-30-11-9-27/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,22,24,25,29)
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2.30 -48.8n/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)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50237093
PNG
(CHEMBL256546 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
Show InChI InChI=1S/C28H32N6O4/c1-19-15-20(2)34(32-19)26-17-25(30-28(31-26)24-8-7-21(3)38-24)29-27(35)18-37-23-6-4-5-22(16-23)9-10-33-11-13-36-14-12-33/h4-8,15-17H,9-14,18H2,1-3H3,(H,29,30,31,35)
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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


Bioorg Med Chem Lett 18: 1778-83 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.032
BindingDB Entry DOI: 10.7270/Q2VD6Z62
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21212
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C23H31N7O2/c1-15-12-16(2)30(27-15)21-13-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)9-11-29-10-8-18(14-29)28(4)5/h6-7,12-13,18H,8-11,14H2,1-5H3,(H,24,25,26,31)/t18-/m0/s1
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2.40 -48.7n/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
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