Brief Information of the Compound and Protein
Compound Name
[6-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]-3-thiophen-2-yl-1-benzofuran-4-yl] acetate
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Canonical SMILES
COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1
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Compound Formula C29H23NO5S
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
CL000088 Flp-In-293 Homo sapiens (Human)  12
1
IC50 = 0.83 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.88 nM
   TI
   LI
   LO
   TS
3
IC50 = 7.2 nM
   TI
   LI
   LO
   TS
4
IC50 = 8.9 nM
   TI
   LI
   LO
   TS
5
IC50 = 9.1 nM
   TI
   LI
   LO
   TS
6
IC50 = 55.4 nM
   TI
   LI
   LO
   TS
7
IC50 = 81.8 nM
   TI
   LI
   LO
   TS
8
IC50 = 83.5 nM
   TI
   LI
   LO
   TS
9
IC50 = 89.2 nM
   TI
   LI
   LO
   TS
10
IC50 = 109 nM
   TI
   LI
   LO
   TS
11
IC50 = 478 nM
   TI
   LI
   LO
   TS
12
IC50 = 525 nM
   TI
   LI
   LO
   TS
CL000162 HeLa S3 Homo sapiens (Human)  6
1
IC50 = 3.71 nM
   TI
   LI
   LO
   TS
2
IC50 = 5.11 nM
   TI
   LI
   LO
   TS
3
IC50 = 8.9 nM
   TI
   LI
   LO
   TS
4
IC50 = 10.5 nM
   TI
   LI
   LO
   TS
5
IC50 = 103 nM
   TI
   LI
   LO
   TS
6
IC50 = 116 nM
   TI
   LI
   LO
   TS
CL000840 MDR-KB-VIN Homo sapiens (Human)  6
1
IC50 = 6.52 nM
   TI
   LI
   LO
   TS
2
IC50 = 35.8 nM
   TI
   LI
   LO
   TS
3
IC50 = 45.5 nM
   TI
   LI
   LO
   TS
4
IC50 = 345 nM
   TI
   LI
   LO
   TS
5
IC50 = 397 nM
   TI
   LI
   LO
   TS
6
IC50 = 1550 nM
   TI
   LI
   LO
   TS