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 dopamine transporter

Protein Classification

Transporter

Electrochemical transporter

SLC superfamily of solute carriers

SLC06 neurotransmitter transporter family

Uniprot ID

Q01959

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
CL000109	COS-1 Cell Line Info	Chlorocebus aethiops (Green monkey)	2
1	Ki = 347 nM	TI LI LO TS
2	Ki = 630 nM	TI LI LO TS
CL000053	COS-7 Cell Line Info	Chlorocebus aethiops (Green monkey)	3
1	Ki = 200 nM	TI LI LO TS
2	Ki = 223 nM	TI LI LO TS
3	Ki = 450 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	24
1	IC50 = 130 nM	TI LI LO TS
2	IC50 = 190 nM	TI LI LO TS
3	IC50 = 227 nM	TI LI LO TS
4	IC50 = 240 nM	TI LI LO TS
5	IC50 = 267 nM	TI LI LO TS
6	IC50 = 274 nM	TI LI LO TS
7	IC50 = 296 nM	TI LI LO TS
8	IC50 = 301 nM	TI LI LO TS
9	IC50 = 303 nM	TI LI LO TS
10	IC50 = 330 nM	TI LI LO TS
11	IC50 = 461 nM	TI LI LO TS
12	IC50 = 590 nM	TI LI LO TS
13	IC50 = 645.65 nM	TI LI LO TS
14	Ki = 249 nM	TI LI LO TS
15	Ki = 272 nM	TI LI LO TS
16	Ki = 371 nM	TI LI LO TS
17	Ki = 419 nM	TI LI LO TS
18	Ki = 431 nM	TI LI LO TS
19	Ki = 432 nM	TI LI LO TS
20	Ki = 490 nM	TI LI LO TS
21	Ki = 500 nM	TI LI LO TS
22	Ki = 720 nM	TI LI LO TS
23	Ki = 759 nM	TI LI LO TS
24	Ki = 1270 nM	TI LI LO TS

Biochemical Assays