Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [58-164]
Ligand
BDBM580431
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:
BDBM580431
Synonyms:
US11498926, Example 181A
Type:
Small organic molecule
Emp. Form.:
C24H26N6O2
Mol. Mass.:
430.5022
SMILES:
CN[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@@H](c4ccccn4)n1c23 |wU:23.25,2.1,(8.03,-6.66,;6.88,-7.69,;5.42,-7.21,;4.17,-8.12,;2.93,-7.21,;3.4,-5.75,;4.94,-5.75,;2.5,-4.5,;.96,-4.5,;.48,-3.04,;-.93,-2.41,;-1.09,-.88,;.16,.03,;-0,1.56,;-1.34,2.33,;-2.74,1.7,;-1.02,3.83,;.52,3.99,;1.14,2.59,;2.65,2.27,;1.57,-.6,;3.29,.03,;4.54,-.88,;4.38,-2.41,;5.63,-3.32,;5.46,-4.85,;6.71,-5.75,;8.12,-5.13,;8.28,-3.6,;7.03,-2.69,;2.97,-3.04,;1.73,-2.13,)|
Structure:
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