Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK2 | ||
| Ligand | BDBM50527404 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1902603 (CHEMBL4404825) | ||
| IC50 | 2.1±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: |
| ||
| BDBM50527404 | |||
| n/a | |||
| Name | BDBM50527404 | ||
| Synonyms: | CHEMBL4514898 | US10981911, Example 62 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H37N7O | ||
| Mol. Mass. | 475.629 | ||
| SMILES | CC(C)CN1CCC(CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:26.29,wD:29.33,(7.39,-23.23,;8.93,-23.24,;9.7,-21.9,;9.69,-24.57,;11.23,-24.57,;12.01,-23.24,;13.54,-23.24,;14.31,-24.58,;13.55,-25.91,;12,-25.91,;15.85,-24.58,;16.62,-25.91,;15.85,-27.24,;18.16,-25.91,;18.93,-27.24,;18.31,-28.64,;19.45,-29.66,;19.45,-31.21,;20.78,-31.98,;22.11,-31.21,;23.59,-31.69,;24.5,-30.43,;23.59,-29.18,;22.11,-29.66,;20.77,-28.9,;20.45,-27.4,;21.48,-26.25,;21.01,-24.79,;22.04,-23.65,;23.55,-23.97,;24.59,-22.83,;26.09,-23.15,;27.6,-23.49,;24.02,-25.44,;23,-26.58,)| | ||
| Structure | 
| ||