Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase BTK | ||
| Ligand | BDBM467435 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2110234 (CHEMBL4818909) | ||
| IC50 | 400±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: | ATK | Agammaglobulinemia tyrosine kinase | B-cell progenitor kinase | BTK_MOUSE | Bpk | Bruton tyrosine kinase | Btk | Kinase EMB | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 76447.19 | ||
| Organism: | Mus musculus | ||
| Description: | ChEMBL_108319 | ||
| Residue: | 659 | ||
| Sequence: |
| ||
| BDBM467435 | |||
| n/a | |||
| Name | BDBM467435 | ||
| Synonyms: | (R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 87 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H27N5O4S | ||
| Mol. Mass. | 553.631 | ||
| SMILES | Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)| | ||
| Structure | 
| ||