Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [42-168]
Ligand
BDBM318716
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:
BDBM318716
Synonyms:
(4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (ethylsulfonyl)-1,4-diazepan-1-yl]-4- pyridin-2-yl-4,5-dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10464947, Example 248 | US11498926, Example 248 | US9624241, Example 248
Type:
Small organic molecule
Emp. Form.:
C26H30N6O4S
Mol. Mass.:
522.619
SMILES:
CCS(=O)(=O)N1CCCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |wD:28.30,(-5.97,5.87,;-4.64,6.64,;-3.3,5.87,;-2.53,7.2,;-4.07,4.53,;-1.97,5.1,;-.64,5.87,;.8,5.3,;1.25,3.83,;.38,2.56,;-1.15,2.44,;-2.2,3.57,;1.15,1.22,;2.69,1.22,;3.26,-.21,;4.59,-.98,;4.59,-2.52,;3.26,-3.29,;3.26,-4.83,;2.01,-5.73,;.55,-5.26,;2.49,-7.2,;4.03,-7.2,;4.51,-5.73,;5.97,-5.26,;1.93,-2.52,;.59,-3.29,;-.74,-2.52,;-.74,-.98,;-2.07,-.21,;-3.41,-.98,;-4.74,-.21,;-4.74,1.33,;-3.41,2.1,;-2.07,1.33,;.59,-.21,;1.93,-.98,)|
Structure:
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