Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM362667
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:
BDBM362667
Synonyms:
N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]piperidin-4-yl}-N- methylmethanesulfonamide | US10227359, Example 22 | US9834565, Example 22
Type:
Small organic molecule
Emp. Form.:
C26H30N6O4S
Mol. Mass.:
522.619
SMILES:
CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23)S(C)(=O)=O |(-1.64,7.44,;-2.41,6.11,;-1.64,4.78,;-2.41,3.44,;-1.64,2.11,;-.1,2.11,;.67,3.44,;-.1,4.78,;.67,.77,;2.21,.77,;2.78,-.66,;4.11,-1.43,;4.11,-2.97,;2.78,-3.74,;2.78,-5.28,;1.53,-6.18,;.06,-5.71,;2.01,-7.65,;3.55,-7.65,;4.02,-6.18,;5.49,-5.71,;1.44,-2.97,;.11,-3.74,;-1.23,-2.97,;-1.23,-1.43,;-2.56,-.66,;-3.89,-1.43,;-5.23,-.66,;-5.23,.88,;-3.89,1.65,;-2.56,.88,;.11,-.66,;1.44,-1.43,;-3.95,6.11,;-5.49,6.11,;-3.95,7.65,;-3.95,4.57,)|
Structure:
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