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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 | ||
| Ligand | BDBM50539841 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1979484 (CHEMBL4612619) | ||
| IC50 | 2.1±n/a nM | ||
| Citation |  Hansen, BB; Jepsen, TH; Larsen, M; Sindet, R; Vifian, T; Burhardt, MN; Larsen, J; Seitzberg, JG; Carnerup, MA; Jerre, A; Mølck, C; Lovato, P; Rai, S; Nasipireddy, VR; Ritzén, A Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J Med Chem63:7008-7032 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein kinase JAK1 | |||
| Name: | Tyrosine-protein kinase JAK1 | ||
| Synonyms: | JAK-1 | JAK1 | JAK1A | JAK1B | JAK1_HUMAN | Janus kinase 1 | Janus kinase 1 (JAK1) | Janus kinase 1 JAK1 | ||
| Type: | Protein | ||
| Mol. Mass.: | 133293.73 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P23458 | ||
| Residue: | 1154 | ||
| Sequence: |
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| BDBM50539841 | |||
| n/a | |||
| Name | BDBM50539841 | ||
| Synonyms: | CHEMBL4639606 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H30N4O2 | ||
| Mol. Mass. | 418.5313 | ||
| SMILES | Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C4)c4ccccc4)CC3)c12 |r,wU:10.9,wD:13.13,(43.22,-17.37,;43.69,-18.84,;42.78,-20.08,;43.69,-21.34,;45.16,-20.86,;46.5,-21.62,;47.83,-20.86,;49.17,-21.63,;47.83,-19.31,;46.5,-18.53,;46.51,-16.98,;45.18,-16.22,;45.19,-14.67,;46.53,-13.9,;46.53,-12.36,;45.2,-11.59,;43.87,-12.35,;45.21,-10.05,;46.46,-9.15,;45.99,-7.68,;44.45,-7.68,;43.97,-9.14,;43.57,-6.43,;44.21,-5.04,;43.32,-3.79,;41.8,-3.93,;41.16,-5.34,;42.05,-6.58,;47.85,-14.68,;47.85,-16.22,;45.16,-19.31,)| | ||
| Structure | 
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