Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM318542
Substrate
n/a
Meas. Tech.
AlphaScreen Assay
IC50
<100±n/a nM
Citation
 Combs, APSparks, RBMaduskuie, 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:
BDBM318542
Synonyms:
(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-2-vinyl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine | US10464947, Example 88 | US11498926, Example 88 | US9624241, Example 88
Type:
Small organic molecule
Emp. Form.:
C21H18N4O2
Mol. Mass.:
358.3932
SMILES:
Cc1noc(C)c1-c1ccc2nc(C=C)n3[C@H](COc1c23)c1ccccn1 |r,wD:16.24,(-.71,-6.16,;-2.05,-5.39,;-3.51,-5.87,;-4.42,-4.62,;-3.51,-3.37,;-4.28,-2.04,;-2.05,-3.85,;-.71,-3.08,;.62,-3.85,;1.95,-3.08,;1.95,-1.54,;3.04,-.45,;2.11,1.17,;2.88,2.5,;4.42,2.5,;.62,.77,;-.71,1.54,;-2.05,.77,;-2.05,-.77,;-.71,-1.54,;.62,-.77,;-.71,3.08,;-2.05,3.85,;-2.05,5.39,;-.71,6.16,;.62,5.39,;.62,3.85,)|
Structure:
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