Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [58-164]
Ligand
BDBM318612
Substrate
n/a
Meas. Tech.
BRD4 AlphaScreen Assay
IC50
<100±n/a nM
Citation
 Combs, AP; Sparks, RB; Maduskuie, Jr., TP; Rodgers, JD Tricyclic heterocycles as BET protein inhibitors US Patent  US11498926 Publication Date 11/15/2022 
Target
Name:
Bromodomain-containing protein 4 [58-164]
Synonyms:
BRD4 | BRD4-1 | BRD4_HUMAN | Bromodomain-containing protein 4 (BD1, aa 58-164) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
12525.99
Organism:
Homo sapiens (Human)
Description:
O60885[58-164]
Residue:
104
Sequence:
NQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINEL
  
Inhibitor
Name:
BDBM318612
Synonyms:
N-{(3R)-1-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2-yl]pyrrolidin-3-yl}morpholine-4-carboxamide | US10464947, Example 153 | US11498926, Example 153 | US9624241, Example 153
Type:
Small organic molecule
Emp. Form.:
C28H31N7O4
Mol. Mass.:
529.5902
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)N3CCOCC3)n3[C@H](COc1c23)c1ccccn1 |r,wU:16.19,wD:28.38,(-3.93,-6.86,;-5.27,-6.09,;-6.73,-6.56,;-7.64,-5.32,;-6.73,-4.07,;-7.5,-2.74,;-5.27,-4.55,;-3.93,-3.78,;-2.6,-4.55,;-1.27,-3.78,;-1.27,-2.24,;-.5,-.9,;-1.27,.43,;-.5,1.76,;-1.4,3.01,;-.5,4.25,;.97,3.78,;.97,2.24,;2.3,4.55,;3.64,3.78,;3.64,2.24,;4.97,4.55,;6.3,3.78,;7.64,4.55,;7.64,6.09,;6.3,6.86,;4.97,6.09,;-2.6,.07,;-3.93,.84,;-5.27,.07,;-5.27,-1.47,;-3.93,-2.24,;-2.6,-1.47,;-3.93,2.38,;-5.27,3.15,;-5.27,4.69,;-3.93,5.46,;-2.6,4.69,;-2.6,3.15,)|
Structure:
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