Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Cocaine
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 PubChem ID
CID: 446220
SID: 14849677
Canonical SMILES
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
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Compound Formula C17H21NO4
Compound Structure
Protein Name
 Protein Info 
Sodium-dependent dopamine transporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC06 neurotransmitter transporter family
Uniprot ID
P23977
Gene Name
SLC6A3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS
CL000335 D8
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 226 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 66 nM
2 IC50 = 67.8 nM
3 IC50 = 89 nM
4 IC50 = 89.1 nM
5 IC50 = 102 nM
6 IC50 = 139 nM
7 IC50 = 150 nM
8 IC50 = 160 nM
9 IC50 = 205 nM
10 IC50 = 249 nM
11 IC50 = 341 nM
12 IC50 = 404 nM
13 IC50 = 478 nM
14 IC50 = 660 nM
15 IC50 = 843 nM
16 IC50 = 1450 nM
17 IC50 = 1810 nM
18 Ki = 187 nM
19 Ki = 230 nM
20 Ki = 241.3 nM
21 Ki = 274 nM
22 Ki = 285 nM
23 Ki = 388 nM
24 Ki = 420 nM
25 Ki = 423 nM
26 Ki = 32000 nM