Brief Information of the Compound and Protein
Compound Name
Beta-Escin
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PubChem ID
CID: 44575959
Canonical SMILES
C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@H](CO)C5CC[C@@]34C)C2CC1(C)C
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Compound Formula C54H84O24
Compound Structure
Protein Name
Solute carrier organic anion transporter family member 1B1
Protein Classification
Transporter
>
Electrochemical transporter
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SLC superfamily of solute carriers
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SLC21/SLCO family of organic anion transporting polypeptides
Uniprot ID
Q9Y6L6
Gene Name
SLCO1B1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 1412.54 nM
   TI
   LI
   LO
   TS
2
Ki = 780 nM
   TI
   LI
   LO
   TS