Reaction Details
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Bromodomain-containing protein 4 [42-168]
Ligand
BDBM362504
Substrate
n/a
Meas. Tech.
BRD4 AlphaScreen Assay
IC50
<25±n/a nM
Citation
Combs, AP; Sparks, RB Tricyclic heterocycles as bet protein inhibitors US Patent US10227359 Publication Date 3/12/2019 More Info.:
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:
BDBM362504
Synonyms:
(4S)-2-[(2R,6S)-4-Acetyl-2,6-dimethylpiperazin-1-yl]-7-(3,5-dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine | US10227359, Example 2 | US10618910, Example 2 | US9834565, Example 2
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
C[C@H]1CN(C[C@@H](C)N1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O |r,wU:1.0,5.5,wD:24.26,(.73,1.56,;2.21,1.16,;3.3,2.25,;4.79,1.85,;5.19,.36,;4.1,-.73,;4.5,-2.22,;2.61,-.33,;1.52,-1.42,;1.12,-2.91,;-.41,-2.99,;-1.38,-4.18,;-2.9,-3.94,;-3.46,-2.51,;-5,-2.51,;-5.9,-3.75,;-5.13,-5.09,;-7.37,-3.28,;-7.37,-1.74,;-5.9,-1.26,;-5.13,.07,;-2.49,-1.31,;-3.04,.13,;-2.07,1.33,;-.55,1.08,;.22,2.42,;1.76,2.42,;2.53,3.75,;1.76,5.09,;.22,5.09,;-.55,3.75,;.23,-.58,;-.97,-1.55,;5.88,2.94,;5.48,4.42,;7.37,2.54,)|
Structure:
