Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM318649
Substrate
n/a
Meas. Tech.
AlphaScreen Assay A2
IC50
<100±n/a nM
Citation
 Combs, AP; Sparks, RB; Maduskuie, Jr., TP; Rodgers, JD Tricyclic heterocycles as BET protein inhibitors US Patent  US10464947 Publication Date 11/5/2019 
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:
BDBM318649
Synonyms:
(3S)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridin-2-yl-4,5- dihydroimidazo[1,5,4- de][1,4]benzoxazin-2-yl]-N,N- dimethylpyrrolidin-3-amine | US10464947, Example 180B | US11498926, Example 180B | US9624241, Example 180B
Type:
Small organic molecule
Emp. Form.:
C25H28N6O2
Mol. Mass.:
444.5288
SMILES:
CN(C)[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wU:3.2,wD:24.26,(-3.65,6.79,;-3.48,5.26,;-4.73,4.35,;-2.08,4.63,;-.74,5.4,;.4,4.37,;-.23,2.97,;-1.76,3.13,;.54,1.63,;2.08,1.63,;2.65,.2,;3.98,-.57,;3.98,-2.11,;2.65,-2.88,;2.65,-4.42,;1.4,-5.33,;-.06,-4.85,;1.88,-6.79,;3.42,-6.79,;3.89,-5.33,;5.36,-4.85,;1.31,-2.11,;-.02,-2.88,;-1.36,-2.11,;-1.36,-.57,;-2.69,.2,;-4.02,-.57,;-5.36,.2,;-5.36,1.74,;-4.02,2.51,;-2.69,1.74,;-.02,.2,;1.31,-.57,)|
Structure:
Search PDB for entries with ligand similarity: