Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM438727
Substrate
n/a
Meas. Tech.
BRD4 AlphaScreen Assay
IC50
<25±n/a nM
Citation
 Combs, AP; Sparks, RB Tricyclic heterocycles as BET protein inhibitors US Patent  US10618910 Publication Date 4/14/2020 
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:
BDBM438727
Synonyms:
N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]piperidin-4-yl}-N- methylacetamide | US10618910, Example 6
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |r,wD:24.26,(-1.43,7.8,;-2.21,6.48,;-1.45,5.14,;.09,5.14,;.81,3.77,;-.01,2.47,;-1.55,2.47,;-2.27,3.77,;.62,1.12,;2.27,.96,;2.59,-.55,;3.92,-1.32,;3.92,-2.86,;2.59,-3.63,;2.59,-5.17,;3.83,-6.07,;5.3,-5.59,;3.36,-7.53,;1.82,-7.53,;1.34,-6.07,;-.12,-5.59,;1.25,-2.86,;-.08,-3.63,;-1.41,-2.86,;-1.41,-1.32,;-2.75,-.55,;-2.75,.99,;-4.08,1.76,;-5.42,.99,;-5.42,-.55,;-4.08,-1.32,;-.08,-.55,;1.25,-1.32,;-3.75,6.49,;-4.51,7.83,;-4.53,5.16,)|
Structure:
Search PDB for entries with ligand similarity: