Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
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 PubChem ID
CID: 46943432
SID: 123047633
Canonical SMILES
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
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Compound Formula C22H22ClN5O2
Compound Structure
Protein Name
 Protein Info 
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
CL000174 Raji
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 132 nM
   TI
   LI
   LO
   TS
2
IC50 = 190 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 440 nM
2 IC50 = 20 nM
3 IC50 = 32.5 nM
4 IC50 = 36 nM
5 IC50 = 36.1 nM
6 IC50 = 40 nM
7 IC50 = 61 nM
8 IC50 = 68 nM
9 IC50 = 120 nM
10 IC50 = 125.89 nM
11 IC50 = 590 nM
12 IC50 = 630 nM
13 IC50 = 630.96 nM
14 IC50 = 631 nM
15 Kd = 55.2 nM
16 Ki = 39.81 nM
17 Ki = 50.12 nM
18 Ki = 65.8 nM
19 Ki = 73.5 nM
20 Ki = 94 nM
21 Ki = 163 nM
22 Ki = 200 nM