Found 73 hits for monomerid = 50176050 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University
Curated by ChEMBL
| Assay Description Displacement of [3H]-ZM241385 from Adenosine A2A receptor in Lister hooded rat brain membranes |
Bioorg Med Chem 23: 6641-9 (2015)
Article DOI: 10.1016/j.bmc.2015.09.012 BindingDB Entry DOI: 10.7270/Q2571DTP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino Carlo Bo
Curated by ChEMBL
| Assay Description Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680 |
J Med Chem 48: 6887-96 (2005)
Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light) |
Bioorg Med Chem Lett 7: 2349-2352 (1997)
Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from rat adenosine A2a receptor |
Bioorg Med Chem 27: 1195-1210 (2019)
Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain after 60 mins by scintillation counting analysis |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane |
Bioorg Med Chem 15: 6956-74 (2007)
Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 5.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane |
Bioorg Med Chem 15: 5003-17 (2007)
Article DOI: 10.1016/j.bmc.2007.04.018 BindingDB Entry DOI: 10.7270/Q2833RR7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 5.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant adenosine receptor A2a |
J Med Chem 57: 3623-50 (2014)
Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113907 BindingDB Entry DOI: 10.7270/Q20K2DJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counting analysis |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR-S1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer
Curated by ChEMBL
| Assay Description Antagonist activity at adenosine A2A receptor (unknown origin) |
Eur J Med Chem 144: 151-163 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.007 BindingDB Entry DOI: 10.7270/Q2RF5XPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114620 BindingDB Entry DOI: 10.7270/Q2G44V8S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay |
Bioorg Med Chem Lett 23: 3427-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB MMDB
Reactome pathway KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light) |
Bioorg Med Chem Lett 7: 2349-2352 (1997)
Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R+D) Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor |
Bioorg Med Chem Lett 19: 2664-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human adenosine 2A receptor |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00237 BindingDB Entry DOI: 10.7270/Q2M330F6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis |
J Med Chem 56: 1247-61 (2013)
Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2A receptor |
Bioorg Med Chem Lett 25: 1212-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.062 BindingDB Entry DOI: 10.7270/Q22Z1779 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
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| 90.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells |
Bioorg Med Chem 27: 1195-1210 (2019)
Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L.
US Patent
| |
US Patent US9255087 (2016)
BindingDB Entry DOI: 10.7270/Q20G3J06 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes |
Bioorg Med Chem Lett 7: 2349-2352 (1997)
Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB MMDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heptares Therapeutics Limited
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips b... |
J Med Chem 54: 4312-23 (2011)
Article DOI: 10.1021/jm2003798 BindingDB Entry DOI: 10.7270/Q2N29Z6W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Bioorg Med Chem 15: 5003-17 (2007)
Article DOI: 10.1016/j.bmc.2007.04.018 BindingDB Entry DOI: 10.7270/Q2833RR7 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Bioorg Med Chem 15: 6956-74 (2007)
Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor in Lister hooded rat brain membranes |
Bioorg Med Chem 23: 6641-9 (2015)
Article DOI: 10.1016/j.bmc.2015.09.012 BindingDB Entry DOI: 10.7270/Q2571DTP |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
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| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain after 60 mins by scintillation counting analysis |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
Bioorg Med Chem 27: 1195-1210 (2019)
Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes |
Bioorg Med Chem Lett 7: 2349-2352 (1997)
Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
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| 841 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay |
Bioorg Med Chem Lett 23: 3427-33 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.070 BindingDB Entry DOI: 10.7270/Q2TB19TC |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| Article PubMed
| 841 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| Article PubMed
| 841 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by scintillation counting analysis |
Bioorg Med Chem 21: 7435-52 (2013)
Article DOI: 10.1016/j.bmc.2013.09.044 BindingDB Entry DOI: 10.7270/Q2TT4TWF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| 841 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 27: 1195-1210 (2019)
Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino Carlo Bo
Curated by ChEMBL
| Assay Description Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX |
J Med Chem 48: 6887-96 (2005)
Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
NCI pathway Reactome pathway KEGG
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| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant adenosine receptor A2b |
J Med Chem 57: 3623-50 (2014)
Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
NCI pathway Reactome pathway KEGG
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| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human adenosine 2B receptor |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00237 BindingDB Entry DOI: 10.7270/Q2M330F6 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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| 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant adenosine A1 receptor |
J Med Chem 57: 3623-50 (2014)
Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(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+ | PDB
Reactome pathway KEGG
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
J Med Chem 56: 4580-96 (2013)
Article DOI: 10.1021/jm400336x BindingDB Entry DOI: 10.7270/Q29C71BR |
More data for this Ligand-Target Pair | |