Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide
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 PubChem ID
CID: 441243
SID: 14912870
Canonical SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
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Compound Formula C38H50N6O5
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 = 6500 nM
   TI
   LI
   LO
   TS
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  1
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS
CL000036 MDCK-II
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
IC50 = 100000 nM
   TI
   LI
   LO
   TS