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Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM318544
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
<100±n/a nM
Citation
 Combs, AP; Sparks, RB; Maduskuie, Jr., TP Tricyclic heterocycles as BET protein inhibitors US Patent  US9624241 Publication Date 4/18/2017 
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:
BDBM318544
Synonyms:
1-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]ethanol | US10464947, Example 90 | US11498926, Example 90 | US9624241, Example 90
Type:
Small organic molecule
Emp. Form.:
C21H20N4O3
Mol. Mass.:
376.4085
SMILES:
CC(O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:19.20,(4.55,1.86,;3.06,2.26,;2.66,3.75,;1.97,1.17,;2.91,-.45,;1.82,-1.54,;1.82,-3.08,;.49,-3.85,;-.85,-3.08,;-2.18,-3.85,;-2.18,-5.39,;-.85,-6.16,;-3.65,-5.87,;-4.55,-4.62,;-3.65,-3.37,;-4.42,-2.04,;-.85,-1.54,;-2.18,-.77,;-2.18,.77,;-.85,1.54,;-.85,3.08,;-2.18,3.85,;-2.18,5.39,;-.85,6.16,;.49,5.39,;.49,3.85,;.49,.77,;.49,-.77,)|
Structure:
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