Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM438738
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:
BDBM438738
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,2-dimethylpropanamide | US10618910, Example 17
Type:
Small organic molecule
Emp. Form.:
C29H34N6O3
Mol. Mass.:
514.6187
SMILES:
CC(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:29.31,(5.01,11.17,;5.65,9.77,;7.19,9.63,;4.76,8.51,;3.23,8.65,;5.41,7.11,;6.94,6.97,;4.52,5.86,;2.99,5.99,;2.1,4.74,;2.75,3.34,;4.28,3.2,;5.17,4.46,;1.86,2.08,;.32,2.08,;-.24,.48,;-1.57,-.29,;-1.57,-1.83,;-.24,-2.6,;-.24,-4.14,;1.01,-5.05,;2.47,-4.57,;.53,-6.51,;-1.01,-6.51,;-1.49,-5.05,;-2.95,-4.57,;1.09,-1.83,;2.43,-2.6,;3.76,-1.83,;3.76,-.29,;5.09,.48,;5.1,2.02,;6.43,2.79,;7.76,2.02,;7.76,.48,;6.43,-.29,;2.43,.48,;1.09,-.29,)|
Structure:
Search PDB for entries with ligand similarity: