Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM318572
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 [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:
BDBM318572
Synonyms:
(4S)-2-(1-acetyl-1,2,5,6-tetrahydropyridin- 3-yl)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10464947, Example 116 | US11498926, Example 116 | US9624241, Example 116
Type:
Small organic molecule
Emp. Form.:
C26H25N5O3
Mol. Mass.:
455.5084
SMILES:
CC(=O)N1CCC=C(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:25.27,c:6,(-4.85,3.55,;-4.08,4.88,;-4.85,6.21,;-2.54,4.88,;-1.77,6.21,;-.23,6.21,;.54,4.88,;-.23,3.55,;-1.77,3.55,;.54,2.21,;2.08,2.21,;2.65,.78,;3.98,.01,;3.98,-1.53,;2.65,-2.3,;2.65,-3.84,;1.4,-4.75,;-.06,-4.27,;1.88,-6.21,;3.42,-6.21,;3.89,-4.75,;5.36,-4.27,;1.31,-1.53,;-.02,-2.3,;-1.36,-1.53,;-1.36,.01,;-2.69,.78,;-4.02,.01,;-5.36,.78,;-5.36,2.32,;-4.02,3.09,;-2.69,2.32,;-.02,.78,;1.31,.01,)|
Structure:
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