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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Interleukin-1 receptor-associated kinase 1 | ||
| Ligand | BDBM50466825 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1794381 (CHEMBL4266498) | ||
| IC50 | 72±n/a nM | ||
| Citation |  Degorce, SL; Anjum, R; Dillman, KS; Drew, L; Groombridge, SD; Halsall, CT; Lenz, EM; Lindsay, NA; Mayo, MF; Pink, JH; Robb, GR; Scott, JS; Stokes, S; Xue, Y Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg Med Chem26:913-924 (2018) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Interleukin-1 receptor-associated kinase 1 | |||
| Name: | Interleukin-1 receptor-associated kinase 1 | ||
| Synonyms: | IRAK | IRAK-1 | IRAK1 | IRAK1_HUMAN | Interleukin-1 receptor-associated kinase 1 (IRAK-1) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 76536.81 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P51617 | ||
| Residue: | 712 | ||
| Sequence: |
| ||
| BDBM50466825 | |||
| n/a | |||
| Name | BDBM50466825 | ||
| Synonyms: | CHEMBL4290222 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H34N6O2 | ||
| Mol. Mass. | 426.5551 | ||
| SMILES | CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| | ||
| Structure | 
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