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Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM318712
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:
BDBM318712
Synonyms:
N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridin-2-yl-4,5- dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]piperidin-4-yl}- 2,2,2-trifluoroacetamide | US10464947, Example 242 | US9624241, Example 242
Type:
Small organic molecule
Emp. Form.:
C26H25F3N6O3
Mol. Mass.:
526.5103
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C(F)(F)F)n3[C@H](COc1c23)c1ccccn1 |wD:27.36,(.45,-6.27,;1.91,-6.75,;2.39,-8.21,;3.93,-8.21,;4.41,-6.75,;5.87,-6.27,;3.16,-5.84,;3.16,-4.3,;4.49,-3.53,;4.49,-1.99,;3.16,-1.22,;2.6,.21,;1.06,.21,;.29,1.54,;-1.25,1.54,;-2.02,2.88,;-1.25,4.21,;.29,4.21,;1.06,2.88,;-2.02,5.55,;-3.56,5.55,;-4.33,4.21,;-4.33,6.88,;-3.56,8.21,;-5.1,8.21,;-5.87,6.88,;.49,-1.22,;-.84,-1.99,;-.84,-3.53,;.49,-4.3,;1.83,-3.53,;1.83,-1.99,;-2.17,-1.22,;-3.51,-1.99,;-4.84,-1.22,;-4.84,.32,;-3.51,1.09,;-2.17,.32,)|
Structure:
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