Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Encequidar
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 PubChem ID
CID: 11399764
SID: 16494607
Canonical SMILES
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
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Compound Formula C38H36N6O7
Compound Structure
Protein Name
 Protein Info 
ATP-dependent translocase ABCB1
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
ABCB subfamily
Uniprot ID
P08183
Gene Name
ABCB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 53 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7.9 nM
   TI
   LI
   LO
   TS
CL000838 MDR-KB-VCR
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
CL000355 MES-SA/Dx5
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 4.9 nM
   TI
   LI
   LO
   TS
2
EC50 = 13 nM
   TI
   LI
   LO
   TS
3
IC50 = 11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.6 nM