Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Tyrosine-protein kinase ITK/TSK | ||
Ligand | BDBM50037071 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1435180 (CHEMBL3389531) | ||
Ki | 1.8±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: |
| ||
BDBM50037071 | |||
n/a | |||
Name | BDBM50037071 | ||
Synonyms: | CHEMBL3355733 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H26FN5O3S | ||
Mol. Mass. | 507.58 | ||
SMILES | O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)-c2ccc(F)cc2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(22.41,-30.72,;22.41,-29.18,;23.75,-28.41,;23.75,-26.87,;22.42,-26.11,;21.08,-26.87,;21.08,-28.41,;22.42,-24.57,;21.08,-23.8,;19.75,-24.57,;18.41,-23.8,;18.41,-22.26,;19.74,-21.49,;19.74,-19.95,;21.07,-19.17,;22.48,-19.8,;23.51,-18.66,;22.74,-17.32,;21.23,-17.65,;25.04,-18.81,;25.67,-20.22,;27.2,-20.38,;28.1,-19.13,;29.63,-19.28,;27.46,-17.72,;25.94,-17.57,;21.08,-22.25,;17.07,-24.57,;17.83,-25.9,;16.3,-25.89,;15.74,-23.8,;15.75,-22.26,;14.42,-21.49,;13.09,-22.26,;13.09,-23.81,;14.42,-24.57,)| | ||
Structure |