Brief Information of the Compound and Protein
Compound Name
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
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PubChem ID
CID: 135564749
SID: 50126585
Canonical SMILES
COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
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Compound Formula C20H22N2O5
Compound Structure
Protein Name
Bromodomain-containing protein 4
Protein Classification
Epigenetic regulator
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Bromodomain
Uniprot ID
O60885
Gene Name
BRD4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000997 SAE Squalus acanthias (Spiny dogfish)  4
1
IC50 = 2630 nM
   TI
   LI
   LO
   TS
2
IC50 = 2740 nM
   TI
   LI
   LO
   TS
3
IC50 = 3730 nM
   TI
   LI
   LO
   TS
4
IC50 = 3850 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 40 nM
2 IC50 = 43.8 nM
3 IC50 = 67 nM
4 IC50 = 100 nM
5 IC50 = 132 nM
6 IC50 = 135 nM
7 IC50 = 510 nM
8 IC50 = 610 nM
9 IC50 = 645 nM
10 IC50 = 1142 nM
11 IC50 = 1584.89 nM
12 IC50 = 1800 nM
13 IC50 = 1985 nM
14 IC50 = 2450 nM
15 IC50 = 3100 nM
16 IC50 = 6309.57 nM
17 IC50 = 12700 nM
18 IC50 > 10000 nM
19 Kd = 135 nM
20 Kd = 140 nM
21 Kd = 200 nM
22 Kd = 303 nM
23 Kd = 1100 nM
24 Kd = 1142 nM
25 Kd = 4100 nM
26 Kd = 8930 nM