Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R)-4-[2-[4-[1-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one
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 PubChem ID
CID: 122164589
Canonical SMILES
C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(Cl)n3n2)CCN(C)C1=O
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Compound Formula C24H30ClN7O2
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
CL000141 LNCaP
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 25.12 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 39.81 nM
   TI
   LI
   LO
   TS
CL000714 MM1.S
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 79.43 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 12.59 nM
2 Ki = 199.53 nM
3 Ki = 316.23 nM