Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US8987315, Ketoconazole
    Show/Hide
 PubChem ID
CID: 3823
Canonical SMILES
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
    Show/Hide
Compound Formula C26H28Cl2N4O4
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
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  3
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS
2
Ki = 5270 nM
   TI
   LI
   LO
   TS
3
Ki = 24900 nM
   TI
   LI
   LO
   TS
CL000167 NIH-3T3-G185
 Cell Line Info 
Mus musculus (Mouse)  3
1
IC50 = 5600 nM
   TI
   LI
   LO
   TS
2
IC50 = 23400 nM
   TI
   LI
   LO
   TS
3
IC50 = 53400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13000 nM
2 Ki = 1200 nM