Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM318698
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 [342-460]
Synonyms:
BRD4 | BRD4-BD2 (aa 342-460) | BRD4_HUMAN | Bromodomain containing 4 (aa 342-460) | Bromodomain-containing protein 4 (BRD4)(BD2) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
13783.81
Organism:
Homo sapiens (Human)
Description:
a.a. 342-460 (BRD4-BD2)
Residue:
119
Sequence:
PAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
  
Inhibitor
Name:
BDBM318698
Synonyms:
(4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2-oxo-2-pyrrolidin-1-ylethyl)piperazin- 1-yl]-4-pyridin-2-yl-4,5- dihydroimidazo[1,5,4- de][1,4]benzoxazine | US10464947, Example 228 | US11498926, Example 228 | US9624241, Example 228
Type:
Small organic molecule
Emp. Form.:
C29H33N7O3
Mol. Mass.:
527.6174
SMILES:
Cc1noc(C)c1-c1ccc2nc(N3CCN(CC(=O)N4CCCC4)CC3)n3[C@H](COc1c23)c1ccccn1 |wD:28.38,(.61,-6.82,;2.07,-7.3,;2.55,-8.76,;4.09,-8.76,;4.56,-7.3,;6.03,-6.82,;3.32,-6.4,;3.32,-4.86,;4.65,-4.09,;4.65,-2.55,;3.32,-1.78,;2.75,-.34,;1.21,-.34,;.44,.99,;-1.1,.99,;-1.87,2.33,;-1.1,3.66,;-1.87,4.99,;-3.41,4.99,;-4.18,3.66,;-4.18,6.33,;-5.71,6.49,;-6.03,7.99,;-4.7,8.76,;-3.55,7.73,;.44,3.66,;1.21,2.33,;.65,-1.78,;-.68,-2.55,;-.68,-4.09,;.65,-4.86,;1.99,-4.09,;1.99,-2.55,;-2.02,-1.78,;-3.35,-2.55,;-4.68,-1.78,;-4.68,-.24,;-3.35,.53,;-2.02,-.24,)|
Structure:
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