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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase ITK/TSK | ||
| Ligand | BDBM50037073 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1435180 (CHEMBL3389531) | ||
| Ki | 61±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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| BDBM50037073 | |||
| n/a | |||
| Name | BDBM50037073 | ||
| Synonyms: | CHEMBL3355735 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H26F3N5O4S | ||
| Mol. Mass. | 573.587 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)-c2ccc(OC(F)(F)F)cc2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(5.56,-17.07,;5.57,-15.53,;6.9,-14.76,;6.91,-13.22,;5.58,-12.46,;4.24,-13.22,;4.24,-14.76,;5.57,-10.92,;4.24,-10.15,;2.9,-10.92,;1.57,-10.15,;1.57,-8.61,;2.9,-7.84,;2.89,-6.3,;4.22,-5.53,;5.64,-6.16,;6.66,-5.01,;5.89,-3.68,;4.39,-4,;8.2,-5.16,;8.82,-6.57,;10.35,-6.73,;11.26,-5.48,;12.79,-5.63,;13.42,-7.04,;14.95,-7.19,;12.52,-8.29,;14.18,-8.37,;10.62,-4.07,;9.09,-3.92,;4.23,-8.6,;.23,-10.92,;.99,-12.25,;-.56,-12.24,;-1.11,-10.15,;-1.1,-8.61,;-2.43,-7.84,;-3.77,-8.61,;-3.76,-10.16,;-2.43,-10.92,)| | ||
| Structure | 
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