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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK2 | ||
| Ligand | BDBM387818 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1902603 (CHEMBL4404825) | ||
| IC50 | 8.6±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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| BDBM387818 | |||
| n/a | |||
| Name | BDBM387818 | ||
| Synonyms: | 2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide | US10294226, Compound Ex. 1 | US10487083, Example 1 | US10981911, Example 1 | US11059823, Example 1 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H28N6O2 | ||
| Mol. Mass. | 408.4967 | ||
| SMILES | CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-4.33,5.71,;-5.1,4.37,;-6.64,4.37,;-5.87,5.71,;-4.33,3.04,;-5.1,1.71,;-4.33,.37,;-5.1,-.96,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)| | ||
| Structure | 
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