Reaction Details | |||
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Target | Bromodomain-containing protein 4 | ||
Ligand | BDBM50579852 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2145529 (CHEMBL5029809) | ||
IC50 | 0.600000±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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BDBM50579852 | |||
n/a | |||
Name | BDBM50579852 | ||
Synonyms: | CHEMBL5090513 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H31FN6O3 | ||
Mol. Mass. | 521.601 | ||
SMILES | [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3cc(C)on3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.22,(33.12,-33.94,;34.66,-33.94,;35.42,-35.27,;34.12,-35.06,;35.39,-32.58,;36.91,-32.38,;37.19,-30.86,;35.83,-30.13,;35.62,-28.61,;34.72,-31.2,;33.21,-30.93,;32.21,-32.1,;30.7,-31.82,;29.49,-32.77,;29.54,-34.31,;28.23,-35.12,;26.88,-34.39,;25.58,-35.2,;25.62,-36.74,;26.98,-37.47,;28.29,-36.66,;30.9,-35.03,;31.11,-36.55,;32.63,-36.82,;33.3,-38.2,;33.35,-35.46,;32.29,-34.35,;28.21,-31.9,;26.73,-32.26,;25.68,-31.16,;26.11,-29.69,;27.6,-29.33,;28.65,-30.44,;30.18,-30.37,;31.17,-29.2,;32.68,-29.47,;33.67,-28.29,;24.18,-31.53,;23.75,-33.01,;22.68,-31.92,;23.12,-30.42,)| | ||
Structure |