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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK3 | ||
| Ligand | BDBM50527410 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1902604 (CHEMBL4404826) | ||
| IC50 | 69±n/a nM | ||
| Citation |  Leonard, KA; Madge, LA; Krawczuk, PJ; Wang, A; Kreutter, KD; Bacani, GM; Chai, W; Smith, RC; Tichenor, MS; Harris, MC; Malaviya, R; Seierstad, M; Johnson, ME; Venable, JD; Kim, S; Hirst, GC; Mathur, AS; Rao, TS; Edwards, JP; Rizzolio, MC; Koudriakova, T Discovery of a Gut-Restricted JAK Inhibitor for the Treatment of Inflammatory Bowel Disease. J Med Chem63:2915-2929 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein kinase JAK3 | |||
| Name: | Tyrosine-protein kinase JAK3 | ||
| Synonyms: | JAK-3 | JAK3 | JAK3_HUMAN | Janus kinase 3 | Janus kinase 3 (JAK3) | Janus kinase 3 JAK3 | L-JAK | Leukocyte janus kinase | ||
| Type: | Protein | ||
| Mol. Mass.: | 125111.08 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P52333 | ||
| Residue: | 1124 | ||
| Sequence: |
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| BDBM50527410 | |||
| n/a | |||
| Name | BDBM50527410 | ||
| Synonyms: | CHEMBL4439418 | US10981911, Example 57 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H21F3N6O | ||
| Mol. Mass. | 418.4155 | ||
| SMILES | FC(F)(F)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:21.23,wD:24.27,(29.58,-41.12,;28.81,-42.46,;27.27,-42.46,;28.03,-41.11,;29.58,-43.79,;31.12,-43.79,;31.89,-45.12,;31.13,-46.45,;33.43,-45.12,;34.21,-46.45,;33.58,-47.85,;34.72,-48.87,;34.72,-50.42,;36.06,-51.19,;37.39,-50.42,;38.86,-50.9,;39.78,-49.64,;38.86,-48.39,;37.39,-48.87,;36.05,-48.11,;35.73,-46.61,;36.76,-45.46,;36.28,-44,;37.32,-42.86,;38.83,-43.18,;39.86,-42.04,;41.37,-42.36,;42.87,-42.7,;39.3,-44.65,;38.27,-45.79,)| | ||
| Structure | 
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