Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R)-1,3-dimethyl-4-[2-[4-[1-(3-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]piperazin-2-one
    Show/Hide
 PubChem ID
CID: 155534450
Canonical SMILES
CSc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1
    Show/Hide
Compound Formula C25H33N7O2S
Compound Structure
Protein Name
 Protein Info 
Bromodomain-containing protein 4
Protein Classification
Epigenetic regulator
>
Reader
>
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 = 31.62 nM
   TI
   LI
   LO
   TS
CL000714 MM1.S
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 19.95 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 12.59 nM
2 Ki = 125.89 nM
3 Ki = 158.49 nM