Bioactivity Information

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 Show/Hide
Compound Formula	C17H21NO4

Compound Structure

Protein Name

Protein Info

Sodium-dependent serotonin transporter

Protein Classification

Transporter

Electrochemical transporter

SLC superfamily of solute carriers

SLC06 neurotransmitter transporter family

Uniprot ID

P31645

Gene Name

SLC6A4

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000109	COS-1 Cell Line Info	Chlorocebus aethiops (Green monkey)	2
1	Ki = 524 nM	TI LI LO TS
2	Ki = 965 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	26
1	IC50 = 180 nM	TI LI LO TS
2	IC50 = 250 nM	TI LI LO TS
3	IC50 = 277 nM	TI LI LO TS
4	IC50 = 318 nM	TI LI LO TS
5	IC50 = 325 nM	TI LI LO TS
6	IC50 = 336 nM	TI LI LO TS
7	IC50 = 338 nM	TI LI LO TS
8	IC50 = 340 nM	TI LI LO TS
9	IC50 = 413 nM	TI LI LO TS
10	IC50 = 416 nM	TI LI LO TS
11	IC50 = 494 nM	TI LI LO TS
12	IC50 = 540 nM	TI LI LO TS
13	IC50 = 642 nM	TI LI LO TS
14	IC50 = 2398.83 nM	TI LI LO TS
15	Ki = 229 nM	TI LI LO TS
16	Ki = 276 nM	TI LI LO TS
17	Ki = 297 nM	TI LI LO TS
18	Ki = 328 nM	TI LI LO TS
19	Ki = 340 nM	TI LI LO TS
20	Ki = 358 nM	TI LI LO TS
21	Ki = 387 nM	TI LI LO TS
22	Ki = 525 nM	TI LI LO TS
23	Ki = 601 nM	TI LI LO TS
24	Ki = 632 nM	TI LI LO TS
25	Ki = 657 nM	TI LI LO TS
26	Ki = 818 nM	TI LI LO TS

Biochemical Assays