Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM467718 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2238755 (CHEMBL5152651) | ||
Ki | 29±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: |
| ||
BDBM467718 | |||
n/a | |||
Name | BDBM467718 | ||
Synonyms: | (R)-N-(1-Acryloylpyrrolidin-3-yl)-5-(2-methyl-4-(2,3,4,5,6- pentadeuteriophenoxy)phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 376 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H25N5O4S | ||
Mol. Mass. | 539.605 | ||
SMILES | Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)| | ||
Structure |