Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM318654
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:
BDBM318654
Synonyms:
(4S)-2-[4-(cyclopropylmethyl)piperazin- 1-yl]-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10464947, Example 183 | US11498926, Example 183 | US9624241, Example 183
Type:
Small organic molecule
Emp. Form.:
C27H30N6O2
Mol. Mass.:
470.5661
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC4CC4)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:24.34,(-.04,-5.32,;1.43,-5.8,;1.9,-7.26,;3.44,-7.26,;3.92,-5.8,;5.39,-5.32,;2.67,-4.89,;2.67,-3.35,;4.01,-2.58,;4.01,-1.04,;2.67,-.27,;2.11,1.16,;.57,1.16,;-.2,2.49,;-1.74,2.49,;-2.51,3.83,;-1.74,5.16,;-2.51,6.49,;-4.05,6.49,;-5.39,5.72,;-5.39,7.26,;-.2,5.16,;.57,3.83,;.01,-.27,;-1.33,-1.04,;-1.33,-2.58,;.01,-3.35,;1.34,-2.58,;1.34,-1.04,;-2.66,-.27,;-3.99,-1.04,;-5.33,-.27,;-5.33,1.27,;-3.99,2.04,;-2.66,1.27,)|
Structure:
Search PDB for entries with ligand similarity: