Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM318503
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:
BDBM318503
Synonyms:
1-[7-(3,5-Dimethylisoxazol-4-yl)- 4-phenyl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]piperidin- 3-ol | US10464947, Example 58 | US11498926, Example 58 | US9624241, Example 58
Type:
Small organic molecule
Emp. Form.:
C25H26N4O3
Mol. Mass.:
430.4989
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCCC(O)C3)n3C(COc1c23)c1ccccc1 |(-.06,-4.27,;1.4,-4.75,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;2.65,-3.84,;2.65,-2.3,;3.98,-1.53,;3.98,.01,;2.65,.78,;2.08,2.21,;.54,2.21,;-.23,3.55,;.54,4.88,;-.23,6.21,;-1.77,6.21,;-2.54,4.88,;-4.08,4.88,;-1.77,3.55,;-.02,.78,;-1.36,.01,;-1.36,-1.53,;-.02,-2.3,;1.31,-1.53,;1.31,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,)|
Structure:
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