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Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM362504
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:
BDBM362504
Synonyms:
(4S)-2-[(2R,6S)-4-Acetyl-2,6-dimethylpiperazin-1-yl]-7-(3,5-dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine | US10227359, Example 2 | US10618910, Example 2 | US9834565, Example 2
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
C[C@H]1CN(C[C@@H](C)N1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |r,wU:1.0,5.5,wD:24.26,(.73,1.56,;2.21,1.16,;3.3,2.25,;4.79,1.85,;5.19,.36,;4.1,-.73,;4.5,-2.22,;2.61,-.33,;1.52,-1.42,;1.12,-2.91,;-.41,-2.99,;-1.38,-4.18,;-2.9,-3.94,;-3.46,-2.51,;-5,-2.51,;-5.9,-3.75,;-5.13,-5.09,;-7.37,-3.28,;-7.37,-1.74,;-5.9,-1.26,;-5.13,.07,;-2.49,-1.31,;-3.04,.13,;-2.07,1.33,;-.55,1.08,;.22,2.42,;1.76,2.42,;2.53,3.75,;1.76,5.09,;.22,5.09,;-.55,3.75,;.23,-.58,;-.97,-1.55,;5.88,2.94,;5.48,4.42,;7.37,2.54,)|
Structure:
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