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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bromodomain-containing protein 4 [353-454] | ||
| Ligand | BDBM318612 | ||
| 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 [353-454] | |||
| Name: | Bromodomain-containing protein 4 [353-454] | ||
| Synonyms: | BRD4 | BRD4-2 | BRD4_HUMAN | Bromodomain-containing protein 4 (BD2, aa 353-454) | HUNK1 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 11972.81 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O60885[353-454] | ||
| Residue: | 102 | ||
| Sequence: |
| ||
| BDBM318612 | |||
| n/a | |||
| Name | BDBM318612 | ||
| Synonyms: | N-{(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}morpholine-4-carboxamide | US10464947, Example 153 | US11498926, Example 153 | US9624241, Example 153 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H31N7O4 | ||
| Mol. Mass. | 529.5902 | ||
| SMILES | Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)N3CCOCC3)n3[C@H](COc1c23)c1ccccn1 |r,wU:16.19,wD:28.38,(-3.93,-6.86,;-5.27,-6.09,;-6.73,-6.56,;-7.64,-5.32,;-6.73,-4.07,;-7.5,-2.74,;-5.27,-4.55,;-3.93,-3.78,;-2.6,-4.55,;-1.27,-3.78,;-1.27,-2.24,;-.5,-.9,;-1.27,.43,;-.5,1.76,;-1.4,3.01,;-.5,4.25,;.97,3.78,;.97,2.24,;2.3,4.55,;3.64,3.78,;3.64,2.24,;4.97,4.55,;6.3,3.78,;7.64,4.55,;7.64,6.09,;6.3,6.86,;4.97,6.09,;-2.6,.07,;-3.93,.84,;-5.27,.07,;-5.27,-1.47,;-3.93,-2.24,;-2.6,-1.47,;-3.93,2.38,;-5.27,3.15,;-5.27,4.69,;-3.93,5.46,;-2.6,4.69,;-2.6,3.15,)| | ||
| Structure | 
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