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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 | ||
| Ligand | BDBM50539826 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1979484 (CHEMBL4612619) | ||
| IC50 | 32±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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| BDBM50539826 | |||
| n/a | |||
| Name | BDBM50539826 | ||
| Synonyms: | CHEMBL4640029 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C16H20N4O | ||
| Mol. Mass. | 284.3562 | ||
| SMILES | Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)| | ||
| Structure | 
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