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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK3 | ||
| Ligand | BDBM50527409 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1902604 (CHEMBL4404826) | ||
| IC50 | 56±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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| BDBM50527409 | |||
| n/a | |||
| Name | BDBM50527409 | ||
| Synonyms: | CHEMBL4447497 | US10981911, Example 58 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H33N7O2 | ||
| Mol. Mass. | 487.5966 | ||
| SMILES | NC(=O)C12CCC(CC1)(CC2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:27.31,wD:30.35,(51.54,-6.32,;52.99,-6.72,;53.36,-8.17,;54.07,-5.78,;55.42,-4.48,;56.49,-4.98,;55.4,-5.91,;55.39,-7.27,;54.08,-7.23,;53.78,-4.37,;52.64,-4.97,;56.73,-6.67,;56.73,-8.21,;55.39,-8.99,;58.06,-8.99,;58.06,-10.53,;56.81,-11.41,;57.26,-12.87,;56.46,-14.2,;57.23,-15.55,;58.77,-15.57,;59.8,-16.73,;61.22,-16.11,;61.08,-14.57,;59.56,-14.23,;58.8,-12.89,;59.29,-11.44,;60.76,-10.98,;61.09,-9.48,;62.57,-9.03,;63.71,-10.07,;65.18,-9.62,;66.31,-10.67,;67.44,-11.72,;63.36,-11.57,;61.9,-12.03,)| | ||
| Structure | 
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