Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [49-170]
Ligand
BDBM318710
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  US10618910 Publication Date 4/14/2020 
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:
BDBM318710
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}methanesulfonamide | US10464947, Example 240 | US10618910, Example 14 | US11498926, Example 240 | US9624241, Example 240
Type:
Small organic molecule
Emp. Form.:
C25H28N6O4S
Mol. Mass.:
508.593
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1 |wD:25.34,(.06,-5.71,;1.53,-6.18,;2.01,-7.65,;3.55,-7.65,;4.02,-6.18,;5.49,-5.71,;2.78,-5.28,;2.78,-3.74,;4.11,-2.97,;4.11,-1.43,;2.78,-.66,;2.21,.77,;.67,.77,;-.1,2.11,;-1.64,2.11,;-2.41,3.44,;-1.64,4.78,;-.1,4.78,;.67,3.44,;-2.41,6.11,;-3.95,6.11,;-5.49,6.11,;-3.95,7.65,;-3.95,4.57,;.11,-.66,;-1.23,-1.43,;-1.23,-2.97,;.11,-3.74,;1.44,-2.97,;1.44,-1.43,;-2.56,-.66,;-3.89,-1.43,;-5.23,-.66,;-5.23,.88,;-3.89,1.65,;-2.56,.88,)|
Structure:
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