CA200645 [Ligand Id: 14225] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL5187736
  • A1 receptor/Adenosine receptor A1 in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine receptor A1 in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
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  • A3 receptor/Adenosine receptor A3 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 receptor A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL Binding affinity to A1R L250 6.51A mutant (unknown origin) by saturation NanoBRET binding assay B 6.8 pKd 158.28 nM Kd J Med Chem (2022) 65: 13305-13327 [PMID:36173355]
ChEMBL Binding affinity to A1R H251 6.52A mutant (unknown origin) by saturation NanoBRET binding assay B 6.84 pKd 145.19 nM Kd J Med Chem (2022) 65: 13305-13327 [PMID:36173355]
ChEMBL Binding affinity to A1R E172 5.30A mutant (unknown origin) by saturation NanoBRET binding assay B 6.94 pKd 116.04 nM Kd J Med Chem (2022) 65: 13305-13327 [PMID:36173355]
ChEMBL Binding affinity to wild type A1R (unknown origin) by saturation NanoBRET binding assay B 7.12 pKd 76.37 nM Kd J Med Chem (2022) 65: 13305-13327 [PMID:36173355]
ChEMBL Binding affinity to A1R S267 7.32A mutant (unknown origin) in by saturation NanoBRET binding assay B 7.15 pKd 70.99 nM Kd J Med Chem (2022) 65: 13305-13327 [PMID:36173355]
ChEMBL Binding affinity to NanoLuc-fused human adenosine A1 receptor assessed as dissociation constant by saturation binding assay B 7.74 pKd 18.29 nM Kd J Med Chem (2022) 65: 14864-14890 [PMID:36270633]
A1 receptor/Adenosine receptor A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity to NanoLuc-fused rat adenosine A1 receptor assessed as dissociation constant by saturation binding assay B 7.48 pKd 32.96 nM Kd J Med Chem (2022) 65: 14864-14890 [PMID:36270633]
A3 receptor/Adenosine receptor A3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity to wild type human A3R expressed in HEK293T cells by NanoBRET assay B 7.62 pKi ~24 nM Ki J Med Chem (2024) 67: 13117-13146 [PMID:39073853]
GtoPdb - - 8.21 pKi 6.2 nM Ki Purinergic Signal (2021) 17: 85-108 [PMID:33313997]

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]