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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase BTK | ||
| Ligand | BDBM467564 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2110232 (CHEMBL4818907) | ||
| Ki | 1580±n/a nM | ||
| Citation |  Tichenor, MS; Wiener, JJM; Rao, NL; Pooley Deckhut, C; Barbay, JK; Kreutter, KD; Bacani, GM; Wei, J; Chang, L; Murrey, HE; Wang, W; Ahn, K; Huber, M; Rex, E; Coe, KJ; Wu, J; Seierstad, M; Bembenek, SD; Leonard, KA; Lebsack, AD; Venable, JD; Edwards, JP Discovery of a Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase with Oral Anti-Inflammatory Activity. ACS Med Chem Lett12:782-790 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein kinase BTK | |||
| Name: | Tyrosine-protein kinase BTK | ||
| Synonyms: | AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 76289.95 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q06187 | ||
| Residue: | 659 | ||
| Sequence: |
| ||
| BDBM467564 | |||
| n/a | |||
| Name | BDBM467564 | ||
| Synonyms: | (R)-N-(1-Acryloylpiperidin-3-yl)-4-oxo-5-(o-tolyl)-4,5-dihydro-3H- 1-thia-3,5,8-triazaacenaphthylene-2-carboxamide; | US10800792, Example 216 | US10822348, Example 216 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H23N5O3S | ||
| Mol. Mass. | 461.536 | ||
| SMILES | Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.47,3.85,;-5.8,3.08,;-7.14,3.85,;-8.47,3.08,;-8.47,1.54,;-7.14,.77,;-5.8,1.54,;-4.47,.77,;-4.47,-.77,;-5.8,-1.54,;-5.8,-3.08,;-4.47,-3.85,;-3.14,-3.08,;-1.67,-3.56,;-.77,-2.31,;.77,-2.31,;1.54,-3.64,;1.54,-.98,;3.08,-.98,;3.85,-2.31,;5.39,-2.31,;6.16,-.98,;5.39,.36,;3.85,.36,;6.16,1.69,;5.39,3.02,;7.7,1.69,;8.47,.36,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-3.14,3.08,;-3.14,-1.54,)| | ||
| Structure | 
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