Reaction Details | |||
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Target | Interleukin-1 receptor-associated kinase 1 [194-712] | ||
Ligand | BDBM347976 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Enzymatic Assay | ||
IC50 | <100±n/a nM | ||
Citation | Jorand-Lebrun, C; Jones, R; Won, AC; Nguyen, N; Johnson, TL; Deselm, LC; Panda, K Heteroaryl compounds as IRAK inhibitors and uses thereof US Patent US9790221 Publication Date 10/17/2017 | ||
More Info.: | Get all data from this article, Assay Method | ||
Interleukin-1 receptor-associated kinase 1 [194-712] | |||
Name: | Interleukin-1 receptor-associated kinase 1 [194-712] | ||
Synonyms: | IRAK | IRAK1 | IRAK1_HUMAN | Interleukin-1 receptor-associated kinase 1 (IRAK1) | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 55943.99 | ||
Organism: | Homo sapiens (Human) | ||
Description: | aa 194-712 | ||
Residue: | 519 | ||
Sequence: |
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BDBM347976 | |||
n/a | |||
Name | BDBM347976 | ||
Synonyms: | US9790221, Compound 182 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H30N8O2S | ||
Mol. Mass. | 506.623 | ||
SMILES | Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;3.9,-1.26,;5.44,-1.26,;-3.33,.07,)| | ||
Structure |