Reaction Details | |||
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Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM468010 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2238755 (CHEMBL5152651) | ||
Ki | 64±n/a nM | ||
Citation | Tichenor, MS; Wiener, JJM; Rao, NL; Bacani, GM; Wei, J; Pooley Deckhut, C; Barbay, JK; Kreutter, KD; Chang, L; Clancy, KW; Murrey, HE; Wang, W; Ahn, K; Huber, M; Rex, E; Coe, KJ; Wu, J; Rui, H; Sepassi, K; Gaudiano, M; Bekkers, M; Cornelissen, I; Packman, K; Seierstad, M; Xiouras, C; Bembenek, SD; Alexander, R; Milligan, C; Balasubramanian, S; Lebsack, AD; Venable, JD; Philippar, U; Edwards, JP; Hirst, G Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem65:14326-14336 (2022) [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: |
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BDBM468010 | |||
n/a | |||
Name | BDBM468010 | ||
Synonyms: | (R)-N-(1-Acryloylpiperidin-3-yl)-5-(6-cyclobutoxy-4-methylpyridin- 3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2- carboxamide; | US10800792, Example 672 | US10822348, Example 736 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H28N6O4S | ||
Mol. Mass. | 532.614 | ||
SMILES | Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-1.8,6.31,;-3.13,5.54,;-4.47,6.31,;-5.8,5.54,;-7.14,6.31,;-8.47,5.54,;-9.96,5.93,;-10.36,4.45,;-8.87,4.05,;-5.8,4,;-4.47,3.23,;-3.13,4,;-1.8,3.23,;-1.8,1.69,;-3.13,.92,;-3.13,-.62,;-1.8,-1.39,;-.47,-.62,;1.14,-.89,;1.88,.36,;3.42,.36,;4.19,1.7,;4.19,-.97,;5.73,-.97,;6.5,.36,;8.04,.36,;8.82,-.97,;8.04,-2.3,;6.5,-2.3,;8.82,-3.64,;10.36,-3.64,;8.04,-4.97,;8.82,-6.31,;.87,1.69,;.87,3.23,;-.47,4,;-.47,5.54,;-.47,.92,)| | ||
Structure |