Reaction Details | |||
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Target | Bromodomain-containing protein 4 | ||
Ligand | BDBM50380682 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1713098 (CHEMBL4123147) | ||
IC50 | 790±n/a nM | ||
Citation | Jennings, LE; Schiedel, M; Hewings, DS; Picaud, S; Laurin, CMC; Bruno, PA; Bluck, JP; Scorah, AR; See, L; Reynolds, JK; Moroglu, M; Mistry, IN; Hicks, A; Guzanov, P; Clayton, J; Evans, CNG; Stazi, G; Biggin, PC; Mapp, AK; Hammond, EM; Humphreys, PG; Filippakopoulos, P; Conway, SJ BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg Med Chem26:2937-2957 (2018) [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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BDBM50380682 | |||
n/a | |||
Name | BDBM50380682 | ||
Synonyms: | CHEMBL2017291 | I-BET151 (16) | ||
Type | Small organic molecule | ||
Emp. Form. | C23H21N5O3 | ||
Mol. Mass. | 415.4445 | ||
SMILES | COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| | ||
Structure |