Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [58-164]
Ligand
BDBM318643
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:
BDBM318643
Synonyms:
1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]piperidine-4- carbonitrile | US10464947, Example 175 | US11498926, Example 175 | US9624241, Example 175
Type:
Small organic molecule
Emp. Form.:
C25H24N6O2
Mol. Mass.:
440.4971
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)C#N)n3[C@H](COc1c23)c1ccccn1 |wD:22.31,(-.06,-5.61,;1.4,-6.08,;1.88,-7.55,;3.42,-7.55,;3.89,-6.08,;5.36,-5.61,;2.65,-5.18,;2.65,-3.64,;3.98,-2.87,;3.98,-1.33,;2.65,-.56,;2.08,.88,;.54,.88,;-.23,2.21,;-1.77,2.21,;-2.54,3.55,;-1.77,4.88,;-.23,4.88,;.54,3.55,;-2.54,6.21,;-3.31,7.55,;-.02,-.56,;-1.36,-1.33,;-1.36,-2.87,;-.02,-3.64,;1.31,-2.87,;1.31,-1.33,;-2.69,-.56,;-4.02,-1.33,;-5.36,-.56,;-5.36,.98,;-4.02,1.75,;-2.69,.98,)|
Structure:
Search PDB for entries with ligand similarity: