Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM362642
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:
BDBM362642
Synonyms:
(4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl)-7-(3,5- dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5- dihydroimidazo[1,5,4-de][1,4]benzoxazine | US10227359, Example 4 | US10618910, Example 4 | US9834565, Example 4
Type:
Small organic molecule
Emp. Form.:
C26H26N6O3
Mol. Mass.:
470.523
SMILES:
CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:26.29,(-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-1,4.17,;-2.54,3.55,;-1.77,2.21,;-.23,2.21,;.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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