Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM318475
Substrate
n/a
Meas. Tech.
AlphaScreen Assay A1
IC50
<100±n/a nM
Citation
 Combs, AP; Sparks, RB; Maduskuie, Jr., TP; Rodgers, JD Tricyclic heterocycles as BET protein inhibitors US Patent  US10464947 Publication Date 11/5/2019 
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:
BDBM318475
Synonyms:
2-{2-[7-(3,5-Dimethylisoxazol-4-yl)-2-oxo-1,2,4,5-tetrahydroimidazo[1,5,4-de][1,4]benzoxazin-4-yl]phenoxy}-N-ethylacetamide | US10464947, Example 22 | US11498926, Example 22 | US9624241, Example 22
Type:
Small organic molecule
Emp. Form.:
C24H24N4O5
Mol. Mass.:
448.4712
SMILES:
CCNC(=O)COc1ccccc1C1COc2c(ccc3[nH]c(=O)n1c23)-c1c(C)noc1C |(-6.67,3.85,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;4,5.39,;4,3.85,;2.67,3.08,;2.67,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;5.54,.77,;6.31,2.1,;4,.77,;4,-.77,;1.33,-3.85,;-.13,-3.37,;-.9,-2.04,;-1.04,-4.62,;-.13,-5.87,;1.33,-5.39,;2.67,-6.16,)|
Structure:
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