Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [58-164]
Ligand
BDBM318642
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:
BDBM318642
Synonyms:
(4S)-7-(3,5-dimethylisoxazol-4-yl)-2-(4- isopropylpiperazin-1-yl)-4-pyridin-2-yl- 4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10464947, Example 174 | US11498926, Example 174 | US9624241, Example 174
Type:
Small organic molecule
Emp. Form.:
C26H30N6O2
Mol. Mass.:
458.5554
SMILES:
CC(C)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,(-1.77,7.55,;-2.54,6.21,;-4.08,6.21,;-1.77,4.88,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.54,3.55,;-.23,4.88,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
Structure:
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