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 noradrenaline transporter

Protein Classification

Transporter

Electrochemical transporter

SLC superfamily of solute carriers

SLC06 neurotransmitter transporter family

Uniprot ID

P23975

Gene Name

SLC6A2

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 = 900 nM	TI LI LO TS
CL000109	COS-1 Cell Line Info	Chlorocebus aethiops (Green monkey)	2
1	Ki = 182 nM	TI LI LO TS
2	Ki = 887 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	26
1	IC50 = 186 nM	TI LI LO TS
2	IC50 = 192 nM	TI LI LO TS
3	IC50 = 210 nM	TI LI LO TS
4	IC50 = 221 nM	TI LI LO TS
5	IC50 = 230 nM	TI LI LO TS
6	IC50 = 232 nM	TI LI LO TS
7	IC50 = 233 nM	TI LI LO TS
8	IC50 = 378 nM	TI LI LO TS
9	IC50 = 385 nM	TI LI LO TS
10	IC50 = 835 nM	TI LI LO TS
11	IC50 = 1281 nM	TI LI LO TS
12	IC50 = 1900 nM	TI LI LO TS
13	IC50 = 6309.57 nM	TI LI LO TS
14	Ki = 500 nM	TI LI LO TS
15	Ki = 645 nM	TI LI LO TS
16	Ki = 830 nM	TI LI LO TS
17	Ki = 1115 nM	TI LI LO TS
18	Ki = 1116 nM	TI LI LO TS
19	Ki = 1257 nM	TI LI LO TS
20	Ki = 1770 nM	TI LI LO TS
21	Ki = 1940 nM	TI LI LO TS
22	Ki = 2150 nM	TI LI LO TS
23	Ki = 2357 nM	TI LI LO TS
24	Ki = 2377 nM	TI LI LO TS
25	Ki = 2410 nM	TI LI LO TS
26	Ki = 10700 nM	TI LI LO TS

Biochemical Assays