MRS1067 [Ligand Id: 466] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL89093 (MRS-1067)
  • 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 Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor/Adenosine A3 receptor 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
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter B 5 pKi >10000 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity for Adenosine A1 receptor from rat cerebral cortex membranes using [3H](R)-PIA B 4 pKi >100000 nM Ki J Med Chem (1996) 39: 4142-4148 [PMID:8863790]
ChEMBL Displacement of specific [3H](R)-PIA binding at adenosine A1 receptor from rat brain membranes. B 4 pKi 100000 nM Ki J Med Chem (1997) 40: 2596-2608 [PMID:9258367]
ChEMBL Displacement of [3H]CCPA from rat adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter B 5 pKi >10000 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Displacement of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in rat striatal membranes. B 4 pKi >100000 nM Ki J Med Chem (1997) 40: 2596-2608 [PMID:9258367]
ChEMBL Displacement of [3H]CGS21680 from rat adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter B 5 pKi >10000 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
ChEMBL Binding affinity for Adenosine A2A receptor from rat striatal membranes using [3H]-CGH 21680 B 7 pIC50 >100 nM IC50 J Med Chem (1996) 39: 4142-4148 [PMID:8863790]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 6.2 pKi - - - J Med Chem (1996) 39: 2293-301 [PMID:8691424];
Neuropharmacology (1997) 36: 1157-65 [PMID:9364471]
ChEMBL Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter B 6.25 pKi 561 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]
ChEMBL Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor. B 6.25 pKi 560 nM Ki J Med Chem (1997) 40: 2596-2608 [PMID:9258367]
ChEMBL In vitro binding affinity against human Adenosine A3 receptor B 6.25 pKi 560 nM Ki Bioorg Med Chem Lett (2000) 10: 31-34 [PMID:10636237]
ChEMBL In vitro binding affinity at human Adenosine A3 receptor from HEK293 cells by [125I]AB-MECA displacement. B 9.25 pKi 0.56 nM Ki J Med Chem (1996) 39: 4142-4148 [PMID:8863790]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter B 5.26 pKi 5500 nM Ki J Med Chem (2012) 55: 5676-5703 [PMID:22468757]

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]