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Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM318552
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 [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:
BDBM318552
Synonyms:
US10464947, Example 98 | US9624241, Example 98 | tert-Butyl 3-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]-2,5-dihydro-1H-pyrrole-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C28H29N5O4
Mol. Mass.:
499.561
SMILES:
Cc1noc(C)c1-c1ccc2nc(C3=CCN(C3)C(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |r,wD:26.35,t:14,(-3.75,-6.16,;-5.09,-5.39,;-6.55,-5.87,;-7.46,-4.62,;-6.55,-3.37,;-7.32,-2.04,;-5.09,-3.85,;-3.75,-3.08,;-2.42,-3.85,;-1.09,-3.08,;-1.09,-1.54,;.25,-.77,;-.88,.77,;-.11,2.1,;-.59,3.57,;.66,4.47,;1.91,3.57,;1.43,2.1,;3.39,3.97,;3.79,5.45,;4.48,2.88,;5.97,3.28,;7.06,2.19,;6.37,4.76,;7.46,3.68,;-2.42,.77,;-3.75,1.54,;-5.09,.77,;-5.09,-.77,;-3.75,-1.54,;-2.42,-.77,;-3.75,3.08,;-5.09,3.85,;-5.09,5.39,;-3.75,6.16,;-2.42,5.39,;-2.42,3.85,)|
Structure:
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