Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [75-147]
Ligand
BDBM249290
Substrate
n/a
Meas. Tech.
Amplified Luminescent Proximity Homogeneous Assay (ALPHA)
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
50.7±n/a nM
Comments
extracted
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  US9458145 Publication Date 10/4/2016 
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:
BDBM249290
Synonyms:
US10017501, Compound 1020-81 | US9458145, 1020-81
Type:
Small organic molecule
Emp. Form.:
C20H22N6O
Mol. Mass.:
362.4283
SMILES:
Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NC3CC3)nc12)-c1c(C)noc1C |(1.56,-3.92,;2.9,-3.15,;4.36,-3.63,;5.27,-2.38,;4.36,-1.13,;5.13,.2,;2.9,-1.61,;1.56,-.84,;1.56,.7,;.23,1.47,;-1.1,.7,;-1.1,-.84,;-2.25,-1.87,;-1.62,-3.28,;-2.39,-4.61,;-3.93,-4.61,;-5.27,-3.84,;-5.27,-5.38,;-.09,-3.12,;.23,-1.61,;.23,3.01,;-1.02,3.92,;-2.35,3.15,;-.54,5.38,;1,5.38,;1.48,3.92,;2.81,3.15,)|
Structure:
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