Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM318499
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 [42-168]
Synonyms:
BRD4 | BRD4 BD1 (aa 42-168) | BRD4_HUMAN | Bromodomain-containing protein 4 Bromo Domain 1 | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
15054.68
Organism:
Homo sapiens (Human)
Description:
O60885[42-168]
Residue:
127
Sequence:
STNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
  
Inhibitor
Name:
BDBM318499
Synonyms:
7-(3,5-Dimethylisoxazol-4-yl)-4- phenyl-2-pyrrolidin-1-yl-4,5- dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10464947, Example 54 | US11498926, Example 54 | US9624241, Example 54
Type:
Small organic molecule
Emp. Form.:
C24H24N4O2
Mol. Mass.:
400.473
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCCC3)n3C(COc1c23)c1ccccc1 |(-.06,-4.16,;1.4,-4.63,;1.88,-6.1,;3.42,-6.1,;3.89,-4.63,;5.36,-4.16,;2.65,-3.73,;2.65,-2.19,;3.98,-1.42,;3.98,.12,;2.65,.89,;2.08,2.33,;.54,2.33,;-.23,3.66,;-1.76,3.82,;-2.08,5.33,;-.75,6.1,;.4,5.07,;-.02,.89,;-1.36,.12,;-1.36,-1.42,;-.02,-2.19,;1.31,-1.42,;1.31,.12,;-2.69,.89,;-4.02,.12,;-5.36,.89,;-5.36,2.43,;-4.02,3.2,;-2.69,2.43,)|
Structure:
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