Brief Information of the Compound and Protein
Compound Name
(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
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PubChem ID
CID: 441074
SID: 14899514
Canonical SMILES
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
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Compound Formula C20H24N2O2
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
CL000034 Caco-2 Homo sapiens (Human)  3
1
IC50 = 2200 nM
   TI
   LI
   LO
   TS
2
Ki = 430 nM
   TI
   LI
   LO
   TS
3
Ki = 1500 nM
   TI
   LI
   LO
   TS
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 = 5600 nM
   TI
   LI
   LO
   TS
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
Ki = 8590 nM
   TI
   LI
   LO
   TS
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  3
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
2
IC50 = 18800 nM
   TI
   LI
   LO
   TS
3
IC50 = 33900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2600 nM
2 Ki = 5000 nM