Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM449849
Substrate
n/a
Meas. Tech.
In Vitro Bromodomain Inhibition Assay
IC50
91.0±n/a nM
Citation
 Pourashraf, M; Jacquemot, G; Claridge, S; Bayrakdarian, M; Johnstone, S; Albert, JS; Griffin, A Substituted benzimidazoles, their preparation and their use as pharmaceuticals US Patent  US11365186 Publication Date 6/21/2022 
Target
Name:
Bromodomain-containing protein 4 [49-170]
Synonyms:
BRD4 | BRD4-BD1 | BRD4-BD1 (aa 49-170) | BRD4_HUMAN | Bromodomain containing 4 (aa 49-170) | Bromodomain-containing protein 4 (BRD4) | Bromodomain-containing protein 4 (BRD4)(49-170) | Bromodomain-containing protein 4 (BRD4)(BD1) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
14593.14
Organism:
Homo sapiens (Human)
Description:
aa 49-170 (BRD4-BD1)
Residue:
122
Sequence:
ETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETE
  
Inhibitor
Name:
BDBM449849
Synonyms:
5-[2-cyclobutyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-pyridin-2-one | US10703740, Compound 6 | US11365186, Compound 6
Type:
Small organic molecule
Emp. Form.:
C21H22F3N3O2
Mol. Mass.:
405.4135
SMILES:
Cc1cc(cn(C)c1=O)-c1ccc2nc(C3CCC3)n(CCOC(F)(F)F)c2c1
Structure:
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