Brief Information of the Compound and Protein
Compound Name
(2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
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PubChem ID
CID: 13342
SID: 15945566
Canonical SMILES
CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
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Compound Formula C46H58N4O9
Compound Structure
Protein Name
ATP-dependent translocase ABCB1
Protein Classification
Transporter
>
Primary active transporter
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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
CL000135 A2780ADR Homo sapiens (Human)  1
1
IC50 = 10471.29 nM
   TI
   LI
   LO
   TS
CL000034 Caco-2 Homo sapiens (Human)  2
1
Ki = 15000 nM
   TI
   LI
   LO
   TS
2
Ki = 36500 nM
   TI
   LI
   LO
   TS
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
CL000031 MDCK Canis lupus familiaris (Dog)  2
1
IC50 = 29000 nM
   TI
   LI
   LO
   TS
2
Km = 252800 nM
   TI
   LI
   LO
   TS
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  3
1
IC50 = 17700 nM
   TI
   LI
   LO
   TS
2
IC50 = 19900 nM
   TI
   LI
   LO
   TS
3
IC50 = 29500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10000 nM
2 IC50 = 34000 nM
3 Ki = 100 nM
4 Ki = 1300 nM