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Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM318614
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:
BDBM318614
Synonyms:
Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]pyrrolidin-3-yl}carbamate | US10464947, Example 155 | US11498926, Example 155 | US9624241, Example 155
Type:
Small organic molecule
Emp. Form.:
C25H26N6O4
Mol. Mass.:
474.5117
SMILES:
COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)|
Structure:
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