Reaction Details | |||
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Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM50233390 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1650766 (CHEMBL3999900) | ||
IC50 | 1.2±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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BDBM50233390 | |||
n/a | |||
Name | BDBM50233390 | ||
Synonyms: | CHEMBL4097968 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H23F3N6O3 | ||
Mol. Mass. | 524.4944 | ||
SMILES | Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.32,wD:32.39,(52.42,-33.78,;52.42,-35.32,;51.1,-36.09,;51.1,-37.63,;52.42,-38.4,;53.75,-37.64,;55.22,-38.11,;56.13,-36.86,;55.22,-35.62,;55.69,-34.16,;57.2,-33.84,;57.68,-32.38,;56.65,-31.23,;55.13,-31.56,;54.67,-33.02,;57.12,-29.77,;56.09,-28.62,;58.63,-29.45,;59.1,-27.98,;58.07,-26.85,;58.53,-25.39,;60.05,-25.06,;61.08,-26.2,;60.6,-27.67,;57.5,-24.24,;56.56,-23.21,;57.74,-22.65,;55.9,-24.33,;53.75,-36.09,;55.95,-39.47,;57.48,-39.53,;58.2,-40.9,;57.37,-42.2,;55.83,-42.13,;55.12,-40.77,;58.08,-43.57,;57.26,-44.87,;59.62,-43.63,)| | ||
Structure |