| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A1 |
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| Ligand | BDBM50163462 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_821156 (CHEMBL2039698) |
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| Ki | 81.28±n/a nM |
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| Citation |  Stumpfe, D; Bajorath, J Exploring activity cliffs in medicinal chemistry. J Med Chem55:2932-42 (2012) [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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| BDBM50163462 |
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| n/a |
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| Name | BDBM50163462 |
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| Synonyms: | 2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-m-tolyl-pyridine-3,5-dicarbonitrile | CHEMBL179300 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H14N4OS |
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| Mol. Mass. | 310.374 |
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| SMILES | Cc1cccc(c1)-c1c(C#N)c(N)nc(SCCO)c1C#N |
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| Structure | 
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