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Target
Bromodomain-containing protein 4 [368-440]
Ligand
BDBM249296
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
96.9±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 [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:
BDBM249296
Synonyms:
US10017501, Compound 1020-96 | US9458145, 1020-96
Type:
Small organic molecule
Emp. Form.:
C17H18N6O
Mol. Mass.:
322.3644
SMILES:
Cc1n[nH]c(C)c1-c1cc(cc2nc(N)[nH]c12)-c1c(C)noc1C |(.13,-4.3,;1.46,-3.53,;2.92,-4.01,;3.83,-2.76,;2.92,-1.52,;3.69,-.18,;1.46,-1.99,;.13,-1.22,;.13,.32,;-1.21,1.09,;-2.54,.32,;-2.54,-1.22,;-3.69,-2.25,;-3.06,-3.66,;-3.83,-5,;-1.53,-3.5,;-1.21,-1.99,;-1.21,2.63,;-2.45,3.53,;-3.79,2.76,;-1.98,5,;-.44,5,;.04,3.53,;1.37,2.76,)|
Structure:
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