Brief Information of the Compound and Protein
Compound Name
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[[4-(furan-2-yl)pyrimidin-2-yl]amino]-4-methylbenzamide
    Show/Hide
Canonical SMILES
COc1cc2CCN(CCNC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccco4)c3)Cc2cc1OC
    Show/Hide
Compound Formula C29H31N5O4
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
CL000137 K562/A02 Homo sapiens (Human)  10
1
EC50 = 1190 nM
   TI
   LI
   LO
   TS
2
IC50 = 180 nM
   TI
   LI
   LO
   TS
3
IC50 = 420 nM
   TI
   LI
   LO
   TS
4
IC50 = 4880 nM
   TI
   LI
   LO
   TS
5
IC50 = 16920 nM
   TI
   LI
   LO
   TS
6
IC50 = 25680 nM
   TI
   LI
   LO
   TS
7
IC50 = 38970 nM
   TI
   LI
   LO
   TS
8
IC50 = 45320 nM
   TI
   LI
   LO
   TS
9
IC50 = 76830 nM
   TI
   LI
   LO
   TS
10
IC50 = 84320 nM
   TI
   LI
   LO
   TS