Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM362671
Substrate
n/a
Meas. Tech.
BRD4 AlphaScreen Assay
IC50
<25±n/a nM
Citation
 Combs, AP; Sparks, RB Tricyclic heterocycles as bet protein inhibitors US Patent  US10227359 Publication Date 3/12/2019 
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:
BDBM362671
Synonyms:
(4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2,2-dimethylpropanoyl)piperazin-1-yl]-4- pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10227359, Example 26 | US10618910, Example 26 | US9834565, Example 26
Type:
Small organic molecule
Emp. Form.:
C28H32N6O3
Mol. Mass.:
500.5921
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1 |wD:26.35,(.07,-5.61,;1.53,-6.08,;2.01,-7.55,;3.55,-7.55,;4.02,-6.08,;5.49,-5.61,;2.78,-5.18,;2.78,-3.64,;4.11,-2.87,;4.11,-1.33,;2.78,-.56,;2.21,.88,;.67,.88,;-.1,2.21,;-1.64,2.21,;-2.41,3.55,;-1.64,4.88,;-.1,4.88,;.67,3.55,;-2.41,6.21,;-1.64,7.55,;-3.95,6.21,;-4.72,4.88,;-5.49,6.21,;-4.72,7.55,;.11,-.56,;-1.22,-1.33,;-1.22,-2.87,;.11,-3.64,;1.44,-2.87,;1.44,-1.33,;-2.56,-.56,;-3.89,-1.33,;-5.22,-.56,;-5.22,.98,;-3.89,1.75,;-2.56,.98,)|
Structure:
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