Reaction Details | |||
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Target | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | ||
Ligand | BDBM50581221 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2150101 (CHEMBL5034563) | ||
Ki | 120±n/a nM | ||
Citation | Lee Walmsley, D; Murray, JB; Dokurno, P; Massey, AJ; Benwell, K; Fiumana, A; Foloppe, N; Ray, S; Smith, J; Surgenor, AE; Edmonds, T; Demarles, D; Burbridge, M; Cruzalegui, F; Kotschy, A; Hubbard, RE Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J Med Chem64:8971-8991 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Dual specificity tyrosine-phosphorylation-regulated kinase 1A | |||
Name: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | ||
Synonyms: | DYR1A_HUMAN | DYRK | DYRK1A | Dual specificity YAK1-related kinase | Dual specificity YAK1-related kinase 1A (Dyrk1A) | Dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | Dual-specificity tyrosine-regulated kinases 1A | HP86 | MNB | MNBH | ||
Type: | Enzyme | ||
Mol. Mass.: | 85616.61 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q13627 | ||
Residue: | 763 | ||
Sequence: |
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BDBM50581221 | |||
n/a | |||
Name | BDBM50581221 | ||
Synonyms: | CHEMBL5076663 | ||
Type | Small organic molecule | ||
Emp. Form. | C16H13F2N5 | ||
Mol. Mass. | 313.3047 | ||
SMILES | CCn1c(c(C#N)c2c(N)nc(C)nc12)-c1cccc(F)c1F |(54.34,-17.21,;52.83,-16.89,;51.8,-18.03,;50.27,-17.87,;49.64,-19.29,;48.13,-19.61,;46.62,-19.93,;50.78,-20.31,;50.78,-21.86,;49.44,-22.64,;52.12,-22.64,;53.46,-21.86,;54.8,-22.63,;53.46,-20.31,;52.12,-19.55,;49.5,-16.54,;47.97,-16.55,;47.19,-15.22,;47.96,-13.88,;49.5,-13.88,;50.27,-12.55,;50.27,-15.21,;51.81,-15.21,)| | ||
Structure |