Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [342-460]
Ligand
BDBM318453
Substrate
n/a
Meas. Tech.
AlphaScreen Assay A1
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:
BDBM318453
Synonyms:
US10464947, Example 1B | US9624241, Example 1A | US9624241, Example 1B
Type:
Small organic molecule
Emp. Form.:
C20H17N3O3
Mol. Mass.:
347.3673
SMILES:
Cc1noc(C)c1-c1ccc2[nH]c(=O)n3C(COc1c23)c1ccccc1 |(-.15,-6.16,;-1.48,-5.39,;-2.95,-5.87,;-3.85,-4.62,;-2.95,-3.37,;-3.72,-2.04,;-1.48,-3.85,;-.15,-3.08,;1.18,-3.85,;2.52,-3.08,;2.52,-1.54,;3.85,-.77,;2.72,.77,;3.49,2.1,;1.18,.77,;-.15,1.54,;-1.48,.77,;-1.48,-.77,;-.15,-1.54,;1.18,-.77,;-.15,3.08,;1.18,3.85,;1.18,5.39,;-.15,6.16,;-1.48,5.39,;-1.48,3.85,)|
Structure:
Search PDB for entries with ligand similarity: