Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM362674
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
<25±n/a nM
Citation
 Combs, APSparks, RB Tricyclic heterocycles as bet protein inhibitors US Patent  US9834565 Publication Date 12/5/2017 
Target
Name:
Bromodomain-containing protein 4 [42-168]
Synonyms:
BRD4 | BRD4 BD1 (aa 42-168) | BRD4_HUMAN | Bromodomain-containing protein 4 Bromo Domain 1 | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
15054.68
Organism:
Homo sapiens (Human)
Description:
O60885[42-168]
Residue:
127
Sequence:
STNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
  
Inhibitor
Name:
BDBM362674
Synonyms:
(4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (methoxyacetyl)piperazin-1-yl]-4-pyridin-2- yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10227359, Example 29 | US10618910, Example 29 | US9834565, Example 29
Type:
Small organic molecule
Emp. Form.:
C26H28N6O4
Mol. Mass.:
488.5383
SMILES:
COCC(=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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