Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(+)-cis-Diltiazem
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 PubChem ID
CID: 39186
SID: 14929056
Canonical SMILES
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
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Compound Formula C22H26N2O4S
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 = 1836.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 500 nM
2 Ki = 2200 nM
3 Km = 23000 nM
4 Potency = 3981.1 nM