Reaction Details  Report a problem with these data
Target
Bromodomain-containing protein 4 [75-147]
Ligand
BDBM249294
Substrate
n/a
Meas. Tech.
HTRF Assay
IC50
110±n/a nM
Citation
 Aktoudianakis, E; Chin, G; Corkey, BK; Du, J; Elbel, K; Jiang, RH; Kobayashi, T; Lee, R; Martinez, R; Metobo, SE; Mish, M; Munoz, M; Shevick, S; Sperandio, D; Yang, H; Zablocki, J Benzimidazole derivatives as bromodomain inhibitors US Patent  US10017501 Publication Date 7/10/2018
Target
Name:
Bromodomain-containing protein 4 [75-147]
Synonyms:
BRD4 | BRD4_HUMAN | Bromo domain 1 | Bromodomain-containing protein 4 (BD1) | Bromodomain-containing protein 4 (BRD4) Bromo 1 | Bromodomain-containing protein 4 (BRD4)(BD1) | Bromodomain-containing protein 4 (BRD4)(Bromo 1) | Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1) | Bromodomain-containing protein 4 Bromodomain 1 (BRD4-1) | Bromodomain-containing protein 4 Domain 1 | HUNK1
Type:
n/a
Mol. Mass.:
8856.55
Organism:
Homo sapiens (Human)
Description:
BD1 (75-147 aa) of O60885
Residue:
73
Sequence:
WKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIV
  
Inhibitor
Name:
BDBM249294
Synonyms:
US10017501, Compound 1020-90 | US9458145, 1020-90
Type:
Small organic molecule
Emp. Form.:
C23H20N4O2
Mol. Mass.:
384.4305
SMILES:
COc1nc2c(cc(cc2[nH]1)-c1c(C)noc1C)-c1c(C)ccc2ncccc12 |(-5.25,-5,;-3.71,-5,;-2.94,-3.66,;-1.41,-3.5,;-1.09,-1.99,;.25,-1.22,;.25,.32,;-1.09,1.09,;-2.42,.32,;-2.42,-1.22,;-3.56,-2.25,;-1.09,2.63,;.16,3.53,;1.49,2.76,;-.32,5,;-1.86,5,;-2.33,3.53,;-3.67,2.76,;1.58,-1.99,;1.98,-3.48,;.89,-4.57,;3.47,-3.88,;4.56,-2.79,;4.16,-1.3,;5.25,-.22,;4.85,1.27,;3.36,1.67,;2.27,.58,;2.67,-.91,)|
Structure:
Search PDB for entries with ligand similarity: