Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [368-440]
Ligand
BDBM179457
Substrate
n/a
Meas. Tech.
FP Competitive Binding Assay (BRD-1F)
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
83±n/a nM
IC50
514±n/a nM
Comments
extracted
Citation
 Wang, S; Ran, X; Zhao, Y; Yang, C; Liu, L; Bai, L; McEachern, D; Stuckey, J; Meagher, JL; Sun, D; Li, X; Zhou, B; Karatas, H; Luo, R; Chinnaiyan, A; Asangani, IA BET bromodomain inhibitors and therapeutic methods using the same US Patent  US9675697 Publication Date 6/13/2017 
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:
BDBM179457
Synonyms:
US9675697, Cpd. No. 3
Type:
Small organic molecule
Emp. Form.:
C23H19N3O2
Mol. Mass.:
369.4159
SMILES:
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3)c21 |(-1.12,2.92,;-1.75,1.51,;-.98,.18,;.56,.18,;1.33,-1.16,;.56,-2.49,;-.98,-2.49,;-1.75,-1.16,;-3.29,-1.16,;-4.19,-2.4,;-3.79,-3.89,;-5.65,-1.93,;-5.65,-.39,;-4.19,.09,;-3.79,1.58,;1.6,-3.64,;3,-3.01,;4.41,-3.64,;5.65,-2.73,;5.49,-1.2,;4.09,-.57,;3.69,.92,;4.78,2,;4.38,3.49,;2.89,3.89,;1.8,2.8,;2.2,1.31,;2.84,-1.48,)|
Structure:
Search PDB for entries with ligand similarity: