Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US8987315, Ketoconazole
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 PubChem ID
CID: 3823
Canonical SMILES
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
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Compound Formula C26H28Cl2N4O4
Compound Structure
Protein Name
 Protein Info 
Cytochrome P450 3A4
Protein Classification
Enzyme
>
Cytochrome P450
>
Cytochrome P450 family 3
>
Cytochrome P450 family 3A
>
Cytochrome P450 3A4
Uniprot ID
P08684
Gene Name
CYP3A4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM
2 IC50 = 7.8 nM
3 IC50 = 11 nM
4 IC50 = 12 nM
5 IC50 = 13 nM
6 IC50 = 16 nM
7 IC50 = 17 nM
8 IC50 = 22 nM
9 IC50 = 24 nM
10 IC50 = 25 nM
11 IC50 = 40 nM
12 IC50 = 50 nM
13 IC50 = 54 nM
14 IC50 = 60 nM
15 IC50 = 140 nM
16 IC50 = 180 nM
17 IC50 = 182.6 nM
18 IC50 = 199.99 nM
19 IC50 = 240 nM
20 IC50 = 245 nM
21 IC50 = 280 nM
22 IC50 = 500 nM
23 IC50 = 2500 nM