Reaction Details | |||
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Target | Bromodomain-containing protein 4 | ||
Ligand | BDBM445527 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2145529 (CHEMBL5029809) | ||
IC50 | 1.3±n/a nM | ||
Citation | Hill, MD; Quesnelle, C; Tokarski, J; Fang, H; Fanslau, C; Haarhoff, Z; Kramer, M; Madari, S; Wiebesiek, A; Morrison, J; Simmermacher-Mayer, J; Sinz, M; Westhouse, R; Xie, C; Zhao, J; Huang, L; Sheriff, S; Yan, C; Marsilio, F; Everlof, G; Zvyaga, T; Lee, F; Gavai, AV; Degnan, AP Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorg Med Chem Lett51:0 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Bromodomain-containing protein 4 | |||
Name: | Bromodomain-containing protein 4 | ||
Synonyms: | BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | HUNK1 | Protein HUNK1 | ||
Type: | Protein | ||
Mol. Mass.: | 152264.84 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O60885 | ||
Residue: | 1362 | ||
Sequence: |
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BDBM445527 | |||
n/a | |||
Name | BDBM445527 | ||
Synonyms: | 2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl]propan-2-ol | US10683290, Example 19 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H32FN5O2 | ||
Mol. Mass. | 513.6058 | ||
SMILES | Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wU:11.11,(5.87,4.1,;5.87,2.56,;7.24,1.86,;7,.34,;5.48,.1,;4.71,-1.23,;4.78,1.47,;3.3,1.87,;2.27,.73,;.76,1.05,;-.49,.14,;-.49,-1.4,;.85,-2.17,;2.18,-1.4,;3.51,-2.17,;3.51,-3.71,;2.18,-4.48,;.85,-3.71,;-1.82,-2.17,;-3.15,-1.4,;-4.49,-2.17,;-4.49,-3.71,;-3.15,-4.48,;-1.82,-3.71,;-1.73,1.05,;-3.24,.73,;-4.27,1.87,;-3.79,3.33,;-2.29,3.65,;-1.26,2.51,;.28,2.51,;1.31,3.65,;2.82,3.33,;3.85,4.48,;-5.76,1.47,;-6.85,2.56,;-6.16,-.02,;-7.24,1.07,)| | ||
Structure |