Brief Information of the Compound and Protein
Compound Name
 Compound Info 
bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] decanedioate
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 PubChem ID
CID: 90667034
Canonical SMILES
Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COC(=O)CCCCCCCCC(=O)OC[C@H]4C[C@H](C=C4)n4cnc5c(NC6CC6)nc(N)nc45)C=C3)c2n1
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Compound Formula C38H50N12O4
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
CL000924 12D7-MDR1
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 2100 nM
   TI
   LI
   LO
   TS
2
IC50 = 2300 nM
   TI
   LI
   LO
   TS
CL000598 hCMEC/D3
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3600 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 240 nM
   TI
   LI
   LO
   TS