regadenoson [Ligand Id: 5596] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL317052 (Lexiscan, Regadenoson anhydrous)
  • 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]
  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
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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]CPX from human adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 2 hrs by radioligand competitive binding analysis B 4.78 pKi >16460 nM Ki Eur J Med Chem (2019) 179: 310-324 [PMID:31255928]
GtoPdb - - 5 pKi >10000 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Binding affinity to human recombinant adenosine A1 receptor B 5.42 pKi 3770 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]ZM241385 from human adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 2 hrs by radioligand competitive binding analysis B 5.9 pKi 1269 nM Ki Eur J Med Chem (2019) 179: 310-324 [PMID:31255928]
ChEMBL Receptor binding affinity for the adenosine A2A receptor were determined using [3H]ZM-241385 as a radioligand in pig B 5.95 pKi 1120 nM Ki Bioorg Med Chem Lett (2002) 12: 2935-2939 [PMID:12270178]
ChEMBL Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells B 6.53 pKi 297 nM Ki J Med Chem (2004) 47: 4766-4773 [PMID:15341491]
ChEMBL Binding affinity to A2A adenosine receptor B 6.54 pKi 290 nM Ki J Med Chem (2012) 55: 538-552 [PMID:22104008]
ChEMBL Binding affinity to human recombinant adenosine receptor A2a B 6.54 pKi 290 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Binding affinity to human adenosine A2A receptor B 6.54 pKi 290 nM Ki J Med Chem (2015) 58: 3253-3267 [PMID:25780876]
GtoPdb - - 6.54 pKi 290 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Receptor binding affinity for the adenosine A2A receptor was determined using [3H]ZM-241385 as a radioligand in rat B 6.54 pKi 290 nM Ki Bioorg Med Chem Lett (2002) 12: 2935-2939 [PMID:12270178]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 5 pKi >10000 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Agonist activity at human recombinant adenosine receptor A2b by cAMP assay F 5 pEC50 10000 nM EC50 J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 5 pKi >10000 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Binding affinity for Adenosine A3A receptor B 5 pKi >>10000 nM Ki Bioorg Med Chem Lett (2002) 12: 2935-2939 [PMID:12270178]
ChEMBL Binding affinity to human recombinant adenosine A3 receptor B 5 pKi 10000 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells B 8 pKi >10 nM Ki J Med Chem (2004) 47: 4766-4773 [PMID:15341491]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]