Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R)-1,3-dimethyl-4-[2-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-2-one
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 PubChem ID
CID: 122164963
Canonical SMILES
C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(n3n2)C(F)(F)F)CCN(C)C1=O
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Compound Formula C25H30F3N7O2
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 = 39.81 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 25.12 nM
   TI
   LI
   LO
   TS
CL000714 MM1.S
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7.943 nM
2 Ki = 63.1 nM
3 Ki = 398.11 nM