MRS3558 [Ligand Id: 5601] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL175543 (MRS-3558, MRS-5358)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine A1 receptor in Mouse [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
  • A1 receptor in Rat [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 Mouse [ChEMBL: CHEMBL2115] [GtoPdb: 19] [UniProtKB: Q60613]
  • A2A receptor in Rat [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]
  • A3 receptor/Adenosine A3 receptor in Mouse [ChEMBL: CHEMBL1075269] [GtoPdb: 21] [UniProtKB: Q61618]
  • A3 receptor/Adenosine A3 receptor in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
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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 Inhibition of [3H]R-PIA binding to human Adenosine A1 receptor expressed in CHO cells B 6.59 pKi 260 nM Ki J Med Chem (2005) 48: 1745-1758 [PMID:15771421]
ChEMBL Displacement of radioligand from human adenosine A1 receptor expressed in CHO cells B 6.59 pKi 260 nM Ki Bioorg Med Chem Lett (2008) 18: 2813-2819 [PMID:18424135]
ChEMBL Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells B 6.59 pKi 260 nM Ki Bioorg Med Chem (2008) 16: 8546-8556 [PMID:18752961]
ChEMBL Displacement of [3H]R-PIA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting B 6.59 pKi 260 nM Ki J Med Chem (2012) 55: 4847-4860 [PMID:22559880]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter B 6.59 pKi 260 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
GtoPdb - - 6.59 pKi 260 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
A1 receptor/Adenosine A1 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
GtoPdb - - 7.8 pKi 15.8 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
ChEMBL Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A1 receptor expressed in HEK293 cells B 7.82 pKi 15.3 nM Ki Bioorg Med Chem Lett (2008) 18: 2813-2819 [PMID:18424135]
A1 receptor in Rat [GtoPdb: 18] [UniProtKB: P25099]
GtoPdb - - 6.98 pKi 105 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
GtoPdb - - 5.63 pKi 2330 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells B 5.64 pKi 2300 nM Ki J Med Chem (2005) 48: 1745-1758 [PMID:15771421]
ChEMBL Displacement of radioligand from human adenosine A2A receptor expressed in HEK293 cells B 5.64 pKi 2300 nM Ki Bioorg Med Chem Lett (2008) 18: 2813-2819 [PMID:18424135]
ChEMBL Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cells B 5.64 pKi 2300 nM Ki Bioorg Med Chem (2008) 16: 8546-8556 [PMID:18752961]
ChEMBL Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting B 5.64 pKi 2300 nM Ki J Med Chem (2012) 55: 4847-4860 [PMID:22559880]
ChEMBL Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter B 5.64 pKi 2300 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
A2A receptor/Adenosine A2a receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2115] [GtoPdb: 19] [UniProtKB: Q60613]
GtoPdb - - 4.98 pKi 10400 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
ChEMBL Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in HEK293 cells B 4.98 pKi 10400 nM Ki Bioorg Med Chem Lett (2008) 18: 2813-2819 [PMID:18424135]
A2A receptor in Rat [GtoPdb: 19] [UniProtKB: P30543]
GtoPdb - - 5.97 pKi 1080 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
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 Activation of human adenosine A2B receptor B 5 pEC50 >=10000 nM EC50 Bioorg Med Chem Lett (2008) 18: 2813-2819 [PMID:18424135]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cells B 9.54 pKi 0.29 nM Ki J Med Chem (2005) 48: 1745-1758 [PMID:15771421]
ChEMBL Displacement of radioligand from human adenosine A3 receptor expressed in CHO cells B 9.54 pKi 0.29 nM Ki Bioorg Med Chem Lett (2008) 18: 2813-2819 [PMID:18424135]
ChEMBL Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells B 9.54 pKi 0.29 nM Ki Bioorg Med Chem (2008) 16: 8546-8556 [PMID:18752961]
ChEMBL Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting B 9.54 pKi 0.29 nM Ki J Med Chem (2012) 55: 4847-4860 [PMID:22559880]
ChEMBL Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter B 9.54 pKi 0.29 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
GtoPdb - - 9.54 pKi 0.29 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
A3 receptor/Adenosine A3 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075269] [GtoPdb: 21] [UniProtKB: Q61618]
ChEMBL Displacement of [125I]N6-(-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A3 receptor expressed in HEK293 cells B 8.83 pKi 1.49 nM Ki Bioorg Med Chem Lett (2008) 18: 2813-2819 [PMID:18424135]
GtoPdb - - 8.83 pKi 1.49 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
GtoPdb - - 9 pKi 1 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
ChEMBL Inhibition of [125I]AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cells B 9 pKi 1 nM Ki J Med Chem (2005) 48: 1745-1758 [PMID:15771421]
ChEMBL Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter B 9 pKi 1 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL Antagonist activity at human 5-HT2BR expressed in Flp-In HEK cells assessed as inhibition of 5-HT-induced calcium mobilization preincubated for 5 to 10 mins followed 5-HT addition by Fluo-4 dye based FLIPR assay F 5.49 pIC50 3260 nM IC50 J Med Chem (2016) 59: 11006-11026 [PMID:27933810]

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]