tonapofylline [Ligand Id: 5605] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL414157 (BG-9928, BG9928, Tonapofylline)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
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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]
GtoPdb - - 8.13 pKi 7.4 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Binding affinity to human adenosine A1 receptor B 8.13 pKi 7.4 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [125I]ABA from human adenosine A1 receptor B 8.15 pKi 7 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Intrinsic activity at adenosine A1 receptor assessed as blockade of CPA in isolated spontaneously beating rat atria F 9.8 pKd 0.16 nM Kd J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
ChEMBL Binding affinity to rat adenosine A1 receptor B 8.89 pKi 1.3 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
GtoPdb - - 8.89 pKi 1.3 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex B 9 pKi 1 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
GtoPdb - - 5.19 pKi 6410 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Binding affinity to human adenosine A2A receptor B 5.19 pKi 6410 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [125I]ZM-241385 from human adenosine A2A receptor B 5.19 pKi 6400 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
GtoPdb - - 5.61 pKi 2440 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Binding affinity to rat adenosine A2A receptor B 5.61 pKi 2440 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor B 7.05 pKi 90 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
ChEMBL Binding affinity to human adenosine A2B receptor B 7.05 pKi 90 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
GtoPdb - - 7.05 pKi 90 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 5 pKi >10000 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Displacement of [125I]ABA from human adenosine A3 receptor B 5 pKi >10000 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
ChEMBL Binding affinity to human adenosine A3 receptor B 5 pKi 10000 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]

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]