Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM362653
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  US10227359 Publication Date 3/12/2019 
Target
Name:
Bromodomain-containing protein 4 [342-460]
Synonyms:
BRD4 | BRD4-BD2 (aa 342-460) | BRD4_HUMAN | Bromodomain containing 4 (aa 342-460) | Bromodomain-containing protein 4 (BRD4)(BD2) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
13783.81
Organism:
Homo sapiens (Human)
Description:
a.a. 342-460 (BRD4-BD2)
Residue:
119
Sequence:
PAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
  
Inhibitor
Name:
BDBM362653
Synonyms:
(4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[(3S)- 3-methyl-4-propionylpiperazin-1-yl]-4- pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10227359, Example 8 | US9834565, Example 8
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
CCC(=O)N1CCN(C[C@@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:27.29,9.10,(-4.85,7.55,;-4.08,6.21,;-2.54,6.21,;-1.77,7.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-4.08,3.55,;.54,.88,;2.08,.88,;2.65,-.56,;3.98,-1.33,;3.98,-2.87,;2.65,-3.64,;2.65,-5.18,;1.4,-6.08,;-.06,-5.61,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;1.31,-2.87,;-.02,-3.64,;-1.36,-2.87,;-1.36,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,;-.02,-.56,;1.31,-1.33,)|
Structure:
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