Reaction Details | |||
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Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM50233383 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1650766 (CHEMBL3999900) | ||
IC50 | 4.5±n/a nM | ||
Citation | Gao, X; Wang, J; Liu, J; Guiadeen, D; Krikorian, A; Boga, SB; Alhassan, AB; Selyutin, O; Yu, W; Yu, Y; Anand, R; Liu, S; Yang, C; Wu, H; Cai, J; Cooper, A; Zhu, H; Maloney, K; Gao, YD; Fischmann, TO; Presland, J; Mansueto, M; Xu, Z; Leccese, E; Zhang-Hoover, J; Knemeyer, I; Garlisi, CG; Bays, N; Stivers, P; Brandish, PE; Hicks, A; Kim, R; Kozlowski, JA Discovery of novel BTK inhibitors with carboxylic acids. Bioorg Med Chem Lett27:1471-1477 (2017) [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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BDBM50233383 | |||
n/a | |||
Name | BDBM50233383 | ||
Synonyms: | CHEMBL4095276 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H25F3N6O3 | ||
Mol. Mass. | 538.521 | ||
SMILES | CC1(CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |(54.12,-18.63,;52.59,-18.63,;51.05,-18.56,;50.33,-17.21,;51.16,-15.9,;52.7,-15.96,;53.41,-17.33,;50.43,-14.54,;51.34,-13.29,;50.43,-12.04,;50.91,-10.58,;52.42,-10.26,;52.9,-8.8,;51.86,-7.65,;50.35,-7.97,;49.88,-9.44,;52.34,-6.18,;51.3,-5.04,;53.85,-5.86,;54.32,-4.39,;53.28,-3.26,;53.76,-1.79,;55.27,-1.47,;56.3,-2.61,;55.83,-4.08,;52.72,-.65,;51.77,.39,;52.96,.95,;51.11,-.74,;48.96,-12.51,;47.64,-11.74,;47.64,-10.2,;46.31,-12.51,;46.31,-14.06,;47.64,-14.82,;48.96,-14.06,;53.3,-19.99,;52.48,-21.29,;54.83,-20.06,)| | ||
Structure |