| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A1 |
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| Ligand | BDBM50591164 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2199482 (CHEMBL5111998) |
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| IC50 | 23±n/a nM |
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| Citation |  Stampelou, M; Suchankova, A; Tzortzini, E; Dhingra, L; Barkan, K; Lougiakis, N; Marakos, P; Pouli, N; Ladds, G; Kolocouris, A Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations. J Med Chem65:13305-13327 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Adenosine receptor A1 |
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| Name: | Adenosine receptor A1 |
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| Synonyms: | A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT) |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 36520.92 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P30542 |
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| Residue: | 326 |
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| Sequence: | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVT
PRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPIDEDLPEERPDD
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| BDBM50591164 |
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| n/a |
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| Name | BDBM50591164 |
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| Synonyms: | CHEMBL5196781 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H23N5O3 |
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| Mol. Mass. | 405.4497 |
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| SMILES | COc1cc(Nc2nc(CN)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC |
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| Structure | 
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