Brief Information of the Compound and Protein
Compound Name
[(2R,3S)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 4-fluoro-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate
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PubChem ID
CID: 122179391
Canonical SMILES
COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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Compound Formula C37H38FNO12
Compound Structure
Protein Name
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
CL000350 MDA435/LCC6MDR1 Homo sapiens (Human)  5
1
EC50 = 102 nM
   TI
   LI
   LO
   TS
2
EC50 = 107 nM
   TI
   LI
   LO
   TS
3
EC50 = 108 nM
   TI
   LI
   LO
   TS
4
EC50 = 140 nM
   TI
   LI
   LO
   TS
5
IC50 = 2.7 nM
   TI
   LI
   LO
   TS