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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 | ||
| Ligand | BDBM50539840 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1979484 (CHEMBL4612619) | ||
| IC50 | 3.0±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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| BDBM50539840 | |||
| n/a | |||
| Name | BDBM50539840 | ||
| Synonyms: | CHEMBL4649484 | ||
| 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)N4CC(Cc5ccccc5)C4)CC3)c12 |r,wU:10.9,wD:13.13,(29.55,-18.08,;30.02,-19.54,;29.11,-20.79,;30.02,-22.04,;31.49,-21.57,;32.83,-22.33,;34.16,-21.57,;35.5,-22.34,;34.16,-20.02,;32.83,-19.23,;32.84,-17.69,;31.51,-16.92,;31.51,-15.38,;32.85,-14.61,;32.86,-13.07,;31.53,-12.3,;30.19,-13.06,;31.54,-10.76,;32.63,-9.68,;31.54,-8.58,;31.55,-7.05,;32.89,-6.29,;34.22,-7.07,;35.55,-6.31,;35.56,-4.77,;34.23,-3.99,;32.89,-4.76,;30.45,-9.67,;34.18,-15.39,;34.18,-16.92,;31.49,-20.02,)| | ||
| Structure | 
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