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

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ChEMBL ligand: CHEMBL175543
  • 5-HT2B receptor/5-hydroxytryptamine receptor 2B in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
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  • A1 receptor/Adenosine receptor A1 in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine receptor A1 in Mouse [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
  • A1 receptor in Rat [GtoPdb: 18] [UniProtKB: P25099]
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  • A2A receptor/Adenosine receptor A2a in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • A2A receptor/Adenosine receptor A2a in Mouse [ChEMBL: CHEMBL2115] [GtoPdb: 19] [UniProtKB: Q60613]
  • A2A receptor in Rat [GtoPdb: 19] [UniProtKB: P30543]
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  • A2B receptor/Adenosine receptor A2b in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
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  • A3 receptor/Adenosine receptor A3 in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor/Adenosine receptor A3 in Mouse [ChEMBL: CHEMBL1075269] [GtoPdb: 21] [UniProtKB: Q61618]
  • A3 receptor/Adenosine receptor A3 in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
5-HT2B receptor/5-hydroxytryptamine receptor 2B 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]
A1 receptor/Adenosine receptor A1 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 receptor A1 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 receptor A2a 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 receptor A2a 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 receptor A2b 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 receptor A3 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 receptor A3 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 receptor A3 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]

ChEMBL data shown on this page come from version 36:

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]