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Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'torup' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202986
PNG
(2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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5n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202986
PNG
(2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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5n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336715
PNG
(4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...)
Show SMILES CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H17F2N3O2S/c1-16(2,3)8-12(22)20-13-10(17)6-9(7-11(13)18)14(23)21-15-19-4-5-24-15/h4-7H,8H2,1-3H3,(H,20,22)(H,19,21,23)
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5.90n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336712
PNG
(4-(3,3-Dimethyl-butyrylamino)-3-fluoro-N-thiazol-2...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1F)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H18FN3O2S/c1-16(2,3)9-13(21)19-12-5-4-10(8-11(12)17)14(22)20-15-18-6-7-23-15/h4-8H,9H2,1-3H3,(H,19,21)(H,18,20,22)
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9.20n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324983
PNG
(CHEMBL1221457 | Cyclopropanecarboxylic acid[5-(3-m...)
Show SMILES Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
Show InChI InChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)
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12n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336719
PNG
(4-(3,3-Dimethyl-butyrylamino)-5-fluoro-2-methoxy-N...)
Show SMILES COc1c(F)c(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H20FN3O3S/c1-17(2,3)9-12(22)20-11-6-5-10(14(24-4)13(11)18)15(23)21-16-19-7-8-25-16/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23)
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12n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324967
PNG
(2-[(Furan-2-carbonyl)-amino]-4-phenyl-thiazole-5-c...)
Show SMILES CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H14N2O4S/c1-2-22-16(21)14-13(11-7-4-3-5-8-11)18-17(24-14)19-15(20)12-9-6-10-23-12/h3-10H,2H2,1H3,(H,18,19,20)
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13n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336717
PNG
(4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-...)
Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H21N3O3S/c1-17(2,3)10-14(21)19-12-6-5-11(9-13(12)23-4)15(22)20-16-18-7-8-24-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
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17n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336714
PNG
(4-(3,3-Dimethyl-butyrylamino)-3-methyl-N-thiazol-2...)
Show SMILES Cc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H21N3O2S/c1-11-9-12(15(22)20-16-18-7-8-23-16)5-6-13(11)19-14(21)10-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
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19n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336723
PNG
(3-Chloro-4-(3,3-dimethyl-butyrylamino)-N-thiazol-2...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1Cl)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H18ClN3O2S/c1-16(2,3)9-13(21)19-12-5-4-10(8-11(12)17)14(22)20-15-18-6-7-23-15/h4-8H,9H2,1-3H3,(H,19,21)(H,18,20,22)
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22n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324975
PNG
(CHEMBL1222306 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...)
Show SMILES Cc1nc(no1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C20H16N4O2S/c1-13-21-19(24-26-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25)
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25n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324984
PNG
(3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-p...)
Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)
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27n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324972
PNG
(CHEMBL1222303 | Cyclopropanecarboxylic acid[5-(5-m...)
Show SMILES Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
Show InChI InChI=1S/C16H14N4O2S/c1-9-17-14(20-22-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-15(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)
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28n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336720
PNG
(CHEMBL1671923 | N-(5-Chloro-thiazol-2-yl)-4-(3,3-d...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H18ClN3O2S/c1-16(2,3)8-13(21)19-11-6-4-10(5-7-11)14(22)20-15-18-9-12(17)23-15/h4-7,9H,8H2,1-3H3,(H,19,21)(H,18,20,22)
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28n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336713
PNG
(3-Chloro-4-(3,3-dimethyl-butyrylamino)-5-methyl-N-...)
Show SMILES Cc1cc(cc(Cl)c1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H20ClN3O2S/c1-10-7-11(15(23)21-16-19-5-6-24-16)8-12(18)14(10)20-13(22)9-17(2,3)4/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23)
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32n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324973
PNG
(3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-p...)
Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)23-21-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)
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33n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336729
PNG
(4-(3,3-Dimethyl-butyrylamino)-N-thiazol-2-yl-benza...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-12-6-4-11(5-7-12)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
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36n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324983
PNG
(CHEMBL1221457 | Cyclopropanecarboxylic acid[5-(3-m...)
Show SMILES Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
Show InChI InChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)
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41n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324991
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol...)
Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29)
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45n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324984
PNG
(3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-p...)
Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)
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48n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336709
PNG
(4-(3,3-Dimethyl-butyrylamino)-2-methoxy-N-thiazol-...)
Show SMILES COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H21N3O3S/c1-17(2,3)10-14(21)19-11-5-6-12(13(9-11)23-4)15(22)20-16-18-7-8-24-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
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50n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324986
PNG
(CHEMBL1221504 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...)
Show SMILES Cc1noc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C20H16N4O2S/c1-13-21-19(26-24-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25)
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57n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324968
PNG
(CHEMBL1222241 | Furan-2-carboxylic acid(5-butyryl-...)
Show SMILES CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C18H16N2O3S/c1-2-7-13(21)16-15(12-8-4-3-5-9-12)19-18(24-16)20-17(22)14-10-6-11-23-14/h3-6,8-11H,2,7H2,1H3,(H,19,20,22)
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62n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
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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72n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
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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72n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324978
PNG
(3-Methyl-N-(5-[1,2,4]oxadiazol-3-yl-4-phenyl-thiaz...)
Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1ncon1)-c1ccccc1
Show InChI InChI=1S/C16H16N4O2S/c1-10(2)8-12(21)18-16-19-13(11-6-4-3-5-7-11)14(23-16)15-17-9-22-20-15/h3-7,9-10H,8H2,1-2H3,(H,18,19,21)
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77n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324988
PNG
(CHEMBL1221506 | Cyclopropanecarboxylic acid[5-(2-e...)
Show SMILES CCn1nnc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
Show InChI InChI=1S/C16H16N6OS/c1-2-22-20-14(19-21-22)13-12(10-6-4-3-5-7-10)17-16(24-13)18-15(23)11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H,17,18,23)
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77n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324973
PNG
(3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-p...)
Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)23-21-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)
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82n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324974
PNG
(CHEMBL1222305 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...)
Show SMILES Cc1nc(no1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H14N4O2S/c1-12-20-17(23-25-12)16-15(13-8-4-2-5-9-13)21-19(26-16)22-18(24)14-10-6-3-7-11-14/h2-11H,1H3,(H,21,22,24)
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83n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324968
PNG
(CHEMBL1222241 | Furan-2-carboxylic acid(5-butyryl-...)
Show SMILES CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C18H16N2O3S/c1-2-7-13(21)16-15(12-8-4-3-5-9-12)19-18(24-16)20-17(22)14-10-6-11-23-14/h3-6,8-11H,2,7H2,1H3,(H,19,20,22)
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90n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336728
PNG
(4-(3-Methyl-butyrylamino)-N-thiazol-2-yl-benzamide...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H17N3O2S/c1-10(2)9-13(19)17-12-5-3-11(4-6-12)14(20)18-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,19)(H,16,18,20)
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90n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324969
PNG
(CHEMBL1222242 | Furan-2-carboxylic acid(5-ethoxyme...)
Show SMILES CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c1-2-21-11-14-15(12-7-4-3-5-8-12)18-17(23-14)19-16(20)13-9-6-10-22-13/h3-10H,2,11H2,1H3,(H,18,19,20)
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92n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324987
PNG
(CHEMBL1221505 | Furan-2-carboxylic acid[5-(2-ethyl...)
Show SMILES CCn1nnc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H14N6O2S/c1-2-23-21-15(20-22-23)14-13(11-7-4-3-5-8-11)18-17(26-14)19-16(24)12-9-6-10-25-12/h3-10H,2H2,1H3,(H,18,19,24)
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94n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324967
PNG
(2-[(Furan-2-carbonyl)-amino]-4-phenyl-thiazole-5-c...)
Show SMILES CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H14N2O4S/c1-2-22-16(21)14-13(11-7-4-3-5-8-11)18-17(24-14)19-15(20)12-9-6-10-23-12/h3-10H,2H2,1H3,(H,18,19,20)
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95n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336727
PNG
(CHEMBL1671928 | N-(2,2-Dimethyl-propyl)-N'-thiazol...)
Show SMILES CC(C)(C)CNC(=O)c1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H19N3O2S/c1-16(2,3)10-18-13(20)11-4-6-12(7-5-11)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
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110n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324982
PNG
(CHEMBL1221456 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...)
Show SMILES CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c1-8-15-13(20-18-8)12-11(10-6-4-3-5-7-10)17-14(21-12)16-9(2)19/h3-7H,1-2H3,(H,16,17,19)
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110n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336710
PNG
(4-(3,3-Dimethyl-butyrylamino)-N-(5-methyl-thiazol-...)
Show SMILES Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)s1
Show InChI InChI=1S/C17H21N3O2S/c1-11-10-18-16(23-11)20-15(22)12-5-7-13(8-6-12)19-14(21)9-17(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,21)(H,18,20,22)
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120n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324977
PNG
(CHEMBL1222370 | Cyclopropanecarboxylic acid(5-[1,2...)
Show SMILES O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)C1CC1
Show InChI InChI=1S/C15H12N4O2S/c20-14(10-6-7-10)18-15-17-11(9-4-2-1-3-5-9)12(22-15)13-16-8-21-19-13/h1-5,8,10H,6-7H2,(H,17,18,20)
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120n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324972
PNG
(CHEMBL1222303 | Cyclopropanecarboxylic acid[5-(5-m...)
Show SMILES Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
Show InChI InChI=1S/C16H14N4O2S/c1-9-17-14(20-22-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-15(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)
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150n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336726
PNG
(2-Chloro-4-(3,3-dimethyl-butyrylamino)-N-thiazol-2...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)c(Cl)c1
Show InChI InChI=1S/C16H18ClN3O2S/c1-16(2,3)9-13(21)19-10-4-5-11(12(17)8-10)14(22)20-15-18-6-7-23-15/h4-8H,9H2,1-3H3,(H,19,21)(H,18,20,22)
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180n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324985
PNG
(CHEMBL1221459 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...)
Show SMILES Cc1noc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H14N4O2S/c1-12-20-18(25-23-12)16-15(13-8-4-2-5-9-13)21-19(26-16)22-17(24)14-10-6-3-7-11-14/h2-11H,1H3,(H,21,22,24)
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180n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324985
PNG
(CHEMBL1221459 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...)
Show SMILES Cc1noc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H14N4O2S/c1-12-20-18(25-23-12)16-15(13-8-4-2-5-9-13)21-19(26-16)22-17(24)14-10-6-3-7-11-14/h2-11H,1H3,(H,21,22,24)
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190n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324969
PNG
(CHEMBL1222242 | Furan-2-carboxylic acid(5-ethoxyme...)
Show SMILES CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c1-2-21-11-14-15(12-7-4-3-5-8-12)18-17(23-14)19-16(20)13-9-6-10-22-13/h3-10H,2,11H2,1H3,(H,18,19,20)
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190n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336725
PNG
(4-pentanamido-N-(thiazol-2-yl)benzamide | CHEMBL16...)
Show SMILES CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H17N3O2S/c1-2-3-4-13(19)17-12-7-5-11(6-8-12)14(20)18-15-16-9-10-21-15/h5-10H,2-4H2,1H3,(H,17,19)(H,16,18,20)
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190n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324971
PNG
(CHEMBL1222302 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...)
Show SMILES CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c1-8(19)15-14-17-11(10-6-4-3-5-7-10)12(21-14)13-16-9(2)20-18-13/h3-7H,1-2H3,(H,15,17,19)
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190n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324981
PNG
(CHEMBL1221455 | Furan-2-carboxylic acid[5-(3-methy...)
Show SMILES Cc1noc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S/c1-10-18-16(24-21-10)14-13(11-6-3-2-4-7-11)19-17(25-14)20-15(22)12-8-5-9-23-12/h2-9H,1H3,(H,19,20,22)
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200n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336724
PNG
(4-(3,3-Dimethyl-butyrylamino)-2-methyl-N-thiazol-2...)
Show SMILES Cc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
Show InChI InChI=1S/C17H21N3O2S/c1-11-9-12(19-14(21)10-17(2,3)4)5-6-13(11)15(22)20-16-18-7-8-23-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
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200n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324988
PNG
(CHEMBL1221506 | Cyclopropanecarboxylic acid[5-(2-e...)
Show SMILES CCn1nnc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
Show InChI InChI=1S/C16H16N6OS/c1-2-22-20-14(19-21-22)13-12(10-6-4-3-5-7-10)17-16(24-13)18-15(23)11-8-9-11/h3-7,11H,2,8-9H2,1H3,(H,17,18,23)
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210n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50336723
PNG
(3-Chloro-4-(3,3-dimethyl-butyrylamino)-N-thiazol-2...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1Cl)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H18ClN3O2S/c1-16(2,3)9-13(21)19-12-5-4-10(8-11(12)17)14(22)20-15-18-6-7-23-15/h4-8H,9H2,1-3H3,(H,19,21)(H,18,20,22)
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210n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 30 mins by scintillation counting


J Med Chem 54: 751-64 (2012)


Article DOI: 10.1021/jm1008659
BindingDB Entry DOI: 10.7270/Q23X87N9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50324989
PNG
(CHEMBL1221507 | N-[5-(2-Ethyl-2H-tetrazol-5-yl)-4-...)
Show SMILES CCn1nnc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N6OS/c1-2-25-23-17(22-24-25)16-15(13-9-5-3-6-10-13)20-19(27-16)21-18(26)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,26)
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220n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
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