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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bromodomain-containing protein 4 [58-164] | ||
| Ligand | BDBM318614 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | BRD4 AlphaScreen Assay | ||
| IC50 | <100±n/a nM | ||
| Citation |  Combs, AP; Sparks, RB; Maduskuie, Jr., TP; Rodgers, JD Tricyclic heterocycles as BET protein inhibitors US Patent US11498926 Publication Date 11/15/2022 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Bromodomain-containing protein 4 [58-164] | |||
| Name: | Bromodomain-containing protein 4 [58-164] | ||
| Synonyms: | BRD4 | BRD4-1 | BRD4_HUMAN | Bromodomain-containing protein 4 (BD1, aa 58-164) | HUNK1 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 12525.99 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O60885[58-164] | ||
| Residue: | 104 | ||
| Sequence: |
| ||
| BDBM318614 | |||
| n/a | |||
| Name | BDBM318614 | ||
| Synonyms: | Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]pyrrolidin-3-yl}carbamate | US10464947, Example 155 | US11498926, Example 155 | US9624241, Example 155 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H26N6O4 | ||
| Mol. Mass. | 474.5117 | ||
| SMILES | COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)| | ||
| Structure | 
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