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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 | ||
| Ligand | BDBM50539842 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1979492 (CHEMBL4612627) | ||
| IC50 | 110±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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| BDBM50539842 | |||
| n/a | |||
| Name | BDBM50539842 | ||
| Synonyms: | CHEMBL4636507 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H32N4O2 | ||
| Mol. Mass. | 384.5151 | ||
| SMILES | Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 |r,wU:10.9,wD:13.13,(59.45,-17.29,;59.92,-18.75,;59.01,-20,;59.92,-21.25,;61.39,-20.77,;62.72,-21.54,;64.05,-20.77,;65.39,-21.54,;64.05,-19.23,;62.72,-18.44,;62.73,-16.9,;61.4,-16.14,;61.41,-14.59,;62.75,-13.83,;62.76,-12.29,;61.43,-11.51,;60.09,-12.28,;61.44,-9.97,;62.78,-9.21,;62.79,-7.68,;61.46,-6.9,;61.48,-5.36,;60.12,-6.13,;60.12,-7.66,;60.11,-9.2,;64.08,-14.61,;64.07,-16.14,;61.39,-19.23,)| | ||
| Structure | 
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