Reaction Details | |||
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Target | Interleukin-1 receptor-associated kinase 4 | ||
Ligand | BDBM639237 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | IRAK4 ADP-Glo Assay | ||
IC50 | 3.90±n/a nM | ||
Citation | Chen, Y; Masuda, E; Lamagna, C BICYCLIC INHIBITORS OF IRAK US Patent US20230391748 Publication Date 12/7/2023 | ||
More Info.: | Get all data from this article, Assay Method | ||
Interleukin-1 receptor-associated kinase 4 | |||
Name: | Interleukin-1 receptor-associated kinase 4 | ||
Synonyms: | IRAK-4 | IRAK4 | IRAK4_HUMAN | Interleukin-1 receptor-associated kinase 4 (IRAK-4) | Interleukin-1 receptor-associated kinase 4 (IRAK4) | Renal carcinoma antigen NY-REN-64 | ||
Type: | Protein | ||
Mol. Mass.: | 51519.08 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q9NWZ3 | ||
Residue: | 460 | ||
Sequence: |
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BDBM639237 | |||
n/a | |||
Name | BDBM639237 | ||
Synonyms: | 1-(((S)-4,4-difluoro-5-oxopyrrolidin-2-yl)methoxy)-4-((cis-4-ethoxycyclohexyl)ethynyl)-7-isopropoxyisoquinoline-6-carboxamide | US20230391748, Compound I-59 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H33F2N3O5 | ||
Mol. Mass. | 529.5755 | ||
SMILES | CCO[C@H]1CC[C@H](CC1)C#Cc1cnc(OC[C@@H]2CC(F)(F)C(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,6.9,3.2,(-11.17,-.28,;-9.63,-.28,;-8.86,-1.62,;-7.32,-1.62,;-6.55,-.28,;-5.01,-.28,;-4.24,-1.62,;-5.01,-2.95,;-6.55,-2.95,;-2.7,-1.62,;-1.16,-1.62,;.38,-1.62,;1.15,-2.95,;2.69,-2.95,;3.46,-1.62,;5,-1.62,;5.77,-2.95,;7.31,-2.95,;8.22,-4.2,;9.68,-3.72,;11.17,-4.12,;10.45,-5.05,;9.68,-2.18,;11.02,-1.41,;8.22,-1.7,;2.69,-.28,;3.46,1.05,;2.69,2.39,;3.46,3.72,;5,3.72,;5.77,5.05,;5.77,2.39,;1.15,2.39,;.38,1.05,;1.15,-.28,;.38,3.72,;1.15,5.05,;-1.16,3.72,)| | ||
Structure |