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

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ChEMBL ligand: CHEMBL317052 (Lexiscan, Regadenoson monohydrate)
  • 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 Binding affinity for adenosine (ADO) A1 receptor in CHO cells B 1.78 pKi >16460000 nM Ki Bioorg Med Chem Lett (2002) 12: 2935-2939 [PMID:12270178]
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 Binding affinity for Adenosine A2A receptor in HEK cells B 2.9 pKi 1269000 nM Ki Bioorg Med Chem Lett (2002) 12: 2935-2939 [PMID:12270178]
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 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]