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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK2 | ||
| Ligand | BDBM50527405 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1902603 (CHEMBL4404825) | ||
| IC50 | 6.1±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 JAK2 | |||
| Name: | Tyrosine-protein kinase JAK2 | ||
| Synonyms: | JAK-2 | JAK2 | JAK2_HUMAN | Janus kinase 2 | Janus kinase 2 (JAK2) | Janus kinase 2 (a protein tyrosine kinase) | ||
| Type: | Protein | ||
| Mol. Mass.: | 130684.68 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O60674 | ||
| Residue: | 1132 | ||
| Sequence: |
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| BDBM50527405 | |||
| n/a | |||
| Name | BDBM50527405 | ||
| Synonyms: | CHEMBL4456630 | US10981911, Example 26 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H35N7O2 | ||
| Mol. Mass. | 489.6125 | ||
| SMILES | O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCC(CC1)N1CCOCC1 |r,wU:15.17,wD:18.21,(59.72,-29.37,;60.49,-28.03,;62.03,-28.03,;62.8,-29.36,;62.18,-30.76,;63.32,-31.78,;63.32,-33.33,;64.65,-34.1,;65.98,-33.33,;67.46,-33.81,;68.37,-32.55,;67.46,-31.3,;65.98,-31.78,;64.64,-31.02,;64.32,-29.52,;65.35,-28.37,;64.88,-26.92,;65.91,-25.77,;67.42,-26.09,;68.45,-24.95,;69.96,-25.28,;71.47,-25.61,;67.89,-27.56,;66.86,-28.7,;59.72,-26.7,;60.49,-25.37,;59.73,-24.04,;58.19,-24.03,;57.41,-25.37,;58.18,-26.71,;57.42,-22.7,;58.2,-21.37,;57.43,-20.04,;55.89,-20.03,;55.12,-21.36,;55.88,-22.7,)| | ||
| Structure | 
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