Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Tyrosine-protein kinase JAK1 | ||
Ligand | BDBM50539838 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1979484 (CHEMBL4612619) | ||
IC50 | 13±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: |
| ||
BDBM50539838 | |||
n/a | |||
Name | BDBM50539838 | ||
Synonyms: | CHEMBL4647276 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H23N5O2 | ||
Mol. Mass. | 353.4182 | ||
SMILES | Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| | ||
Structure |