Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM318673
Substrate
n/a
Meas. Tech.
AlphaScreen Assay A2
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:
BDBM318673
Synonyms:
N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-pyridin-2-yl- 4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]pyrrolidin-3- yl}acetamide | US10464947, Example 201A | US9624241, Example 201A
Type:
Small organic molecule
Emp. Form.:
C25H26N6O3
Mol. Mass.:
458.5123
SMILES:
CC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,4.3,(-5.05,6.97,;-3.65,6.34,;-2.4,7.24,;-3.48,4.81,;-2.08,4.18,;-.74,4.95,;.4,3.92,;-.23,2.51,;-1.76,2.67,;.54,1.18,;2.08,1.18,;2.65,-.25,;3.98,-1.02,;3.98,-2.56,;2.65,-3.33,;2.65,-4.87,;1.4,-5.78,;-.06,-5.3,;1.88,-7.24,;3.42,-7.24,;3.89,-5.78,;5.36,-5.3,;1.31,-2.56,;-.02,-3.33,;-1.36,-2.56,;-1.36,-1.02,;-2.69,-.25,;-4.02,-1.02,;-5.36,-.25,;-5.36,1.29,;-4.02,2.06,;-2.69,1.29,;-.02,-.25,;1.31,-1.02,)|
Structure:
Search PDB for entries with ligand similarity: