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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase BTK [386-659] | ||
| Ligand | BDBM468007 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Kinase Lanthascreen Binding Assay | ||
| IC50 | 25.1±n/a nM | ||
| Citation |  Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Hao, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Zhu, Y; Zhang, F; Zhang, Z; Xiao, K Inhibitors of Bruton's tyrosine kinase and methods of their use US Patent US10822348 Publication Date 11/3/2020 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein kinase BTK [386-659] | |||
| Name: | Tyrosine-protein kinase BTK [386-659] | ||
| Synonyms: | AGMX1 | ATK | BPK | BTK | BTK_HUMAN | Tyrosine-protein kinase BTK (386-659) | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 31815.18 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | aa 386-659 | ||
| Residue: | 274 | ||
| Sequence: |
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| BDBM468007 | |||
| n/a | |||
| Name | BDBM468007 | ||
| Synonyms: | (R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(6-isobutyl-4- methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 669 | US10822348, Example 722 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H30N6O3S | ||
| Mol. Mass. | 518.631 | ||
| SMILES | CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-9.16,1.88,;-9.16,3.42,;-10.5,4.19,;-7.83,4.19,;-6.5,3.42,;-6.5,1.88,;-5.16,1.11,;-5.16,-.49,;-3.83,1.88,;-3.83,3.42,;-5.16,4.19,;-2.5,1.11,;-2.5,-.43,;-3.83,-1.2,;-3.83,-2.74,;-2.5,-3.51,;-1.16,-2.74,;.32,-3.14,;1.26,-1.52,;2.8,-1.52,;3.57,-2.85,;3.57,-.19,;5.11,-.19,;5.88,1.15,;7.42,1.15,;8.19,-.19,;7.42,-1.52,;5.88,-1.52,;8.19,-2.85,;7.42,-4.19,;9.73,-2.85,;10.5,-1.52,;.17,-.43,;.17,1.11,;-1.16,1.88,;-1.16,3.42,;-1.16,-1.2,)| | ||
| Structure | 
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