Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(-)-reserpine
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 PubChem ID
CID: 5770
SID: 16543090
Canonical SMILES
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1
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Compound Formula C33H40N2O9
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
CL000072 A2780
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3235.94 nM
   TI
   LI
   LO
   TS
CL000135 A2780ADR
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3235.94 nM
   TI
   LI
   LO
   TS
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 2310 nM
   TI
   LI
   LO
   TS
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  2
1
Ki = 970 nM
   TI
   LI
   LO
   TS
2
Ki = 12200 nM
   TI
   LI
   LO
   TS
CL000031 MDCK
 Cell Line Info 
Canis lupus familiaris (Dog)  1
1
Ki = 11500 nM
   TI
   LI
   LO
   TS
CL000167 NIH-3T3-G185
 Cell Line Info 
Mus musculus (Mouse)  6
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
2
IC50 = 2100 nM
   TI
   LI
   LO
   TS
3
IC50 = 2600 nM
   TI
   LI
   LO
   TS
4
IC50 = 3900 nM
   TI
   LI
   LO
   TS
5
IC50 = 5300 nM
   TI
   LI
   LO
   TS
6
IC50 = 6100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3019.95 nM
2 Ki = 100 nM