Reaction Details | |||
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Target | Tyrosine-protein kinase ITK/TSK | ||
Ligand | BDBM50037065 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1435180 (CHEMBL3389531) | ||
Ki | 14±n/a nM | ||
Citation | Trani, G; Barker, JJ; Bromidge, SM; Brookfield, FA; Burch, JD; Chen, Y; Eigenbrot, C; Heifetz, A; Ismaili, MH; Johnson, A; Krülle, TM; MacKinnon, CH; Maghames, R; McEwan, PA; Montalbetti, CA; Ortwine, DF; Pérez-Fuertes, Y; Vaidya, DG; Wang, X; Zarrin, AA; Pei, Z Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK). Bioorg Med Chem Lett24:5818-23 (2014) [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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BDBM50037065 | |||
n/a | |||
Name | BDBM50037065 | ||
Synonyms: | CHEMBL3355727 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H25N5O3S | ||
Mol. Mass. | 427.52 | ||
SMILES | Cn1cnc(Nc2cc(cc(N[C@H]3CC[C@H](O)CC3)n2)S(=O)(=O)c2ccccc2)c1 |r,wU:12.11,wD:15.15,(11.72,-7.94,;10.19,-7.78,;9.41,-6.45,;7.91,-6.78,;7.75,-8.3,;6.42,-9.08,;6.42,-10.61,;5.09,-11.39,;5.09,-12.93,;6.42,-13.7,;7.76,-12.93,;9.1,-13.7,;9.1,-15.24,;10.43,-15.99,;10.43,-17.54,;9.09,-18.31,;9.09,-19.85,;7.76,-17.53,;7.76,-16,;7.75,-11.38,;3.75,-13.69,;4.51,-15.02,;2.98,-15.02,;2.42,-12.93,;2.43,-11.39,;1.1,-10.62,;-.25,-11.39,;-.23,-12.93,;1.1,-13.7,;9.16,-8.93,)| | ||
Structure |