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Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM362670
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:
BDBM362670
Synonyms:
(4S)-2-(4-butyrylpiperazin-1-yl)-7-(3,5- dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5- dihydroimidazo[1,5,4-de][1,4]benzoxazine | US10227359, Example 25 | US10618910, Example 25 | US9834565, Example 25
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
CCCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.5,-1.33,;4.5,-2.87,;3.16,-3.64,;3.16,-5.18,;1.92,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.5,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.5,-.56,;1.83,-1.33,)|
Structure:
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