Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM318484
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
<100±n/a nM
Citation
 Combs, AP; Sparks, RB; Maduskuie, Jr., TP Tricyclic heterocycles as BET protein inhibitors US Patent  US9624241 Publication Date 4/18/2017 
Target
Name:
Bromodomain-containing protein 4 [49-170]
Synonyms:
BRD4 | BRD4-BD1 | BRD4-BD1 (aa 49-170) | BRD4_HUMAN | Bromodomain containing 4 (aa 49-170) | Bromodomain-containing protein 4 (BRD4) | Bromodomain-containing protein 4 (BRD4)(49-170) | Bromodomain-containing protein 4 (BRD4)(BD1) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
14593.14
Organism:
Homo sapiens (Human)
Description:
aa 49-170 (BRD4-BD1)
Residue:
122
Sequence:
ETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETE
  
Inhibitor
Name:
BDBM318484
Synonyms:
2-{[7-(3,5-Dimethylisoxazol-4-yl)-4-phenyl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]amino}propan-1-ol | US10464947, Example 30 | US9624241, Example 30
Type:
Small organic molecule
Emp. Form.:
C23H24N4O3
Mol. Mass.:
404.4617
SMILES:
CC(CO)Nc1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccc4)n1c23 |r,wD:21.22,(4.06,.77,;3.29,2.1,;4.06,3.44,;5.6,3.44,;1.75,2.1,;.98,.77,;2.11,-.77,;.77,-1.54,;.77,-3.08,;-.56,-3.85,;-1.9,-3.08,;-3.23,-3.85,;-3.23,-5.39,;-1.9,-6.16,;-4.69,-5.87,;-5.6,-4.62,;-4.69,-3.37,;-5.46,-2.04,;-1.9,-1.54,;-3.23,-.77,;-3.23,.77,;-1.9,1.54,;-1.9,3.08,;-.56,3.85,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-.56,.77,;-.56,-.77,)|
Structure:
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