Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [58-164]
Ligand
BDBM318621
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:
BDBM318621
Synonyms:
US11498926, Example 168A | US9624241, Example 159D
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3
Mol. Mass.:
417.4604
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](O)C3)n3[C@@H](COc1c23)c1cccnc1 |r,wU:20.29,16.17,(-1.8,-6.16,;-3.14,-5.39,;-4.6,-5.87,;-5.51,-4.62,;-4.6,-3.37,;-5.37,-2.04,;-3.14,-3.85,;-1.8,-3.08,;-.47,-3.85,;.86,-3.08,;.86,-1.54,;2.2,-.77,;1.39,.87,;2.16,2.21,;1.68,3.67,;2.93,4.58,;4.17,3.67,;5.51,4.44,;3.7,2.21,;-.47,.77,;-1.8,1.54,;-3.14,.77,;-3.14,-.77,;-1.8,-1.54,;-.47,-.77,;-1.8,3.08,;-3.14,3.85,;-3.14,5.39,;-1.8,6.16,;-.47,5.39,;-.47,3.85,)|
Structure:
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