2-phenylethylyl-adenosine derivative [Ligand Id: 5600] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL574602
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
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  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells B 4.48 pKi 32800 nM Ki J. Med. Chem. (2009) 52: 7897-7900 [PMID:19839592]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells B 4.38 pKi 41700 nM Ki J. Med. Chem. (2009) 52: 7897-7900 [PMID:19839592]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells B 9.36 pKi 0.44 nM Ki J. Med. Chem. (2009) 52: 7897-7900 [PMID:19839592]
ChEMBL Binding affinity to human A3AR assessed as inhibitor constant B 9.36 pKi 0.44 nM Ki ACS Med Chem Lett (2020) 11: 1935-1941 [PMID:33062176]
GtoPdb - - 9.36 pKi 0.44 nM Ki J Med Chem (2009) 52: 7897-900 [PMID:19839592]
ChEMBL Binding affinity to human adenosine A3 receptor B 9.36 pKi 0.44 nM Ki Bioorg. Med. Chem. (2010) 18: 7923-7930 [PMID:20943397]
ChEMBL Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 mins before addition of Eu-GTP measured after 45 mins by time-resolved fluorometric method B 6.82 pEC50 151 nM EC50 J. Med. Chem. (2009) 52: 7897-7900 [PMID:19839592]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]