Reaction Details | |||
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Target | Tyrosine-protein kinase ITK/TSK | ||
Ligand | BDBM50442157 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_993112 (CHEMBL2446687) | ||
Ki | 158±n/a nM | ||
Citation | Alder, CM; Ambler, M; Campbell, AJ; Champigny, AC; Deakin, AM; Harling, JD; Harris, CA; Longstaff, T; Lynn, S; Maxwell, AC; Mooney, CJ; Scullion, C; Singh, OM; Smith, IE; Somers, DO; Tame, CJ; Wayne, G; Wilson, C; Woolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett4:948-52 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Tyrosine-protein kinase ITK/TSK | |||
Name: | Tyrosine-protein kinase ITK/TSK | ||
Synonyms: | EMT | ITK | ITK_HUMAN | Kinase EMT | LYK | T-cell-specific kinase | Tyrosine-protein kinase ITK | Tyrosine-protein kinase ITK (ITK) | Tyrosine-protein kinase Lyk | ||
Type: | Protein | ||
Mol. Mass.: | 71839.20 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q08881 | ||
Residue: | 620 | ||
Sequence: |
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BDBM50442157 | |||
n/a | |||
Name | BDBM50442157 | ||
Synonyms: | CHEMBL2441113 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H25N5OS | ||
Mol. Mass. | 395.521 | ||
SMILES | Cc1csc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)n1 |r,wU:22.23,wD:19.19,(55.81,-14.87,;55.16,-16.26,;55.9,-17.61,;54.85,-18.74,;53.45,-18.07,;52.11,-18.82,;52.09,-20.36,;50.73,-21.1,;50.71,-22.64,;49.36,-23.39,;47.99,-22.67,;46.7,-23.51,;45.33,-22.8,;45.26,-21.26,;46.55,-20.44,;47.92,-21.13,;52.03,-23.44,;53.37,-22.69,;54.69,-23.49,;54.67,-25.03,;53.31,-25.77,;53.29,-27.31,;54.61,-28.11,;54.58,-29.65,;55.95,-27.36,;55.98,-25.82,;53.4,-21.15,;53.65,-16.56,)| | ||
Structure |