Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM318463
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:
BDBM318463
Synonyms:
7-(3,5-Dimethylisoxazol-4-yl)-4-(2,4-difluorophenyl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2(1H)-one | US10464947, Example 8 | US11498926, Example 8 | US9624241, Example 8
Type:
Small organic molecule
Emp. Form.:
C20H15F2N3O3
Mol. Mass.:
383.3482
SMILES:
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccc(F)cc1F |(-.15,-6.93,;-1.48,-6.16,;-2.95,-6.64,;-3.85,-5.39,;-2.95,-4.14,;-3.72,-2.81,;-1.48,-4.62,;-.15,-3.85,;1.18,-4.62,;2.52,-3.85,;2.52,-2.31,;3.85,-1.54,;2.72,,;3.49,1.33,;1.18,,;-.15,.77,;-1.48,,;-1.48,-1.54,;-.15,-2.31,;1.18,-1.54,;-.15,2.31,;1.18,3.08,;1.18,4.62,;-.15,5.39,;-.15,6.93,;-1.48,4.62,;-1.48,3.08,;-2.82,2.31,)|
Structure:
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