Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [58-164]
Ligand
BDBM580446
Substrate
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 
Target
Name:
Bromodomain-containing protein 4 [58-164]
Synonyms:
BRD4 | BRD4-1 | BRD4_HUMAN | Bromodomain-containing protein 4 (BD1, aa 58-164) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
12525.99
Organism:
Homo sapiens (Human)
Description:
O60885[58-164]
Residue:
104
Sequence:
NQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINEL
  
Inhibitor
Name:
BDBM580446
Synonyms:
US11498926, Example 193A
Type:
Small organic molecule
Emp. Form.:
C26H28N6O2
Mol. Mass.:
456.5395
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCN4CCC[C@@H]4C3)n3[C@@H](COc1c23)c1ccccn1 |wU:23.33,20.21,(-2.74,1.7,;-1.34,2.33,;-1.02,3.83,;.52,3.99,;1.14,2.59,;2.65,2.27,;-0,1.56,;.16,.03,;-1.09,-.88,;-.93,-2.41,;.48,-3.04,;.96,-4.5,;2.5,-4.5,;3.4,-5.75,;2.78,-7.16,;3.68,-8.4,;5.21,-8.24,;6.36,-9.27,;7.69,-8.5,;7.37,-6.99,;5.84,-6.83,;4.93,-5.59,;2.97,-3.04,;4.38,-2.41,;4.54,-.88,;3.29,.03,;1.57,-.6,;1.73,-2.13,;5.63,-3.32,;5.46,-4.85,;6.71,-5.75,;8.12,-5.13,;8.28,-3.6,;7.03,-2.69,)|
Structure:
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