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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Interleukin-1 receptor-associated kinase 1 | ||
| Ligand | BDBM50505743 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1823775 (CHEMBL4323539) | ||
| IC50 | 27±n/a nM | ||
| Citation |  Degorce, SL; Anjum, R; Bloecher, A; Carbajo, RJ; Dillman, KS; Drew, L; Halsall, CT; Lenz, EM; Lindsay, NA; Mayo, MF; Pink, JH; Robb, GR; Rosen, A; Scott, JS; Xue, Y Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88 J Med Chem62:9918-9930 (2019) [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: |
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| BDBM50505743 | |||
| n/a | |||
| Name | BDBM50505743 | ||
| Synonyms: | CHEMBL4582624 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H32N10O2 | ||
| Mol. Mass. | 504.5874 | ||
| SMILES | COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |r,wU:13.17,wD:10.10,(21.97,-21.58,;21.98,-20.04,;20.66,-19.26,;20.68,-17.72,;19.32,-20.02,;19.31,-21.56,;17.97,-22.32,;16.64,-21.54,;16.65,-19.99,;17.99,-19.23,;15.3,-22.29,;13.96,-21.52,;12.62,-22.28,;12.62,-23.82,;13.95,-24.6,;15.29,-23.83,;11.28,-24.59,;11.28,-26.13,;12.62,-26.91,;12.62,-28.45,;13.95,-29.22,;15.28,-28.46,;15.43,-26.92,;16.94,-26.61,;17.7,-27.94,;19.24,-27.93,;16.67,-29.08,;11.28,-29.22,;9.95,-28.45,;8.63,-29.24,;7.29,-28.48,;7.27,-26.93,;5.93,-26.19,;5.91,-24.65,;5.88,-23.11,;8.6,-26.15,;9.94,-26.91,)| | ||
| Structure | 
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