Brief Information of the Compound and Protein
Compound Name
(E)-3-[6-(3-cyano-4-pyridin-2-ylphenoxy)pyridin-3-yl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]prop-2-enamide
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PubChem ID
CID: 156022175
Canonical SMILES
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(-c6ccccn6)c(c5)C#N)nc4)cc3)Cc2cc1OC
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Compound Formula C39H35N5O4
Compound Structure
Protein Name
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
CL000113 SW620/AD300 Homo sapiens (Human)  2
1
EC50 = 51 nM
   TI
   LI
   LO
   TS
2
IC50 = 610 nM
   TI
   LI
   LO
   TS