Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM318717
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:
BDBM318717
Synonyms:
(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]-N- methylpyrrolidine-3-carboxamide | US10464947, Example 249 | US11498926, Example 249 | US9624241, Example 249
Type:
Small organic molecule
Emp. Form.:
C25H26N6O3
Mol. Mass.:
458.5123
SMILES:
CNC(=O)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:4.3,25.27,(-5.75,4.98,;-4.34,4.35,;-3.09,5.26,;-3.25,6.79,;-1.69,4.63,;-.35,5.4,;.79,4.37,;.16,2.97,;-1.37,3.13,;.93,1.63,;2.47,1.63,;3.04,.2,;4.37,-.57,;4.37,-2.11,;3.04,-2.88,;3.04,-4.42,;1.79,-5.33,;.33,-4.85,;2.27,-6.79,;3.81,-6.79,;4.28,-5.33,;5.75,-4.85,;1.7,-2.11,;.37,-2.88,;-.97,-2.11,;-.97,-.57,;-2.3,.2,;-3.63,-.57,;-4.97,.2,;-4.97,1.74,;-3.63,2.51,;-2.3,1.74,;.37,.2,;1.7,-.57,)|
Structure:
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