Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [368-440]
Ligand
BDBM333420
Substrate
n/a
Meas. Tech.
BRD4 AlphaScreen Assay
IC50
<100±n/a nM
Citation
 Yue, EW; Combs, AP; Buesking, AW Bicyclic heterocycles as bet protein inhibitors US Patent  US9737516 Publication Date 8/22/2017 
Target
Name:
Bromodomain-containing protein 4 [368-440]
Synonyms:
BRD4 | BRD4_HUMAN | Bromo domain 2 | Bromodomain-containing protein 4 (BD2) | Bromodomain-containing protein 4 (BRD4) Bromo 2 | Bromodomain-containing protein 4 (BRD4)(BD2) | Bromodomain-containing protein 4 (BRD4)(Bromo 2) | Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2) | Bromodomain-containing protein 4 Bromodomain 2 (BRD4-2) | Bromodomain-containing protein 4 Domain 2 | HUNK1
Type:
Protein
Mol. Mass.:
8564.63
Organism:
Homo sapiens (Human)
Description:
BD2 (368-440 aa) of O60885
Residue:
73
Sequence:
KHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVV
  
Inhibitor
Name:
BDBM333420
Synonyms:
4-[5-(Cyclobutylmethoxy)-1-benzyl-1H-benzimidazol-6-yl]-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one and 4-[6-(Cyclobutylmethoxy)-1-benzyl-1H-benzimidazol-5-yl]-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | US9737516, Example 16 | US9737516, Example 17
Type:
Small organic molecule
Emp. Form.:
C27H26N4O2
Mol. Mass.:
438.5209
SMILES:
Cn1cc(-c2cc3n(Cc4ccccc4)cnc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Structure:
Search PDB for entries with ligand similarity: