Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

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PubChem ID

CID: 896

SID: 56310582

Canonical SMILES	COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show/Hide
Compound Formula	C13H16N2O2

Compound Structure

Protein Name

Protein Info

Melatonin receptor type 1A

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Small molecule receptor (family A GPCR)

Monoamine-derivative receptor (family A GPCR)

Melatonin receptor

Uniprot ID

P48039

Gene Name

MTNR1A

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)	20
1	EC50 = 0.0257 nM	TI LI LO TS
2	EC50 = 0.026 nM	TI LI LO TS
3	EC50 = 0.098 nM	TI LI LO TS
4	EC50 = 0.11 nM	TI LI LO TS
5	EC50 = 1.5 nM	TI LI LO TS
6	EC50 = 1.92 nM	TI LI LO TS
7	EC50 = 2.2 nM	TI LI LO TS
8	EC50 = 2.24 nM	TI LI LO TS
9	IC50 = 0.11 nM	TI LI LO TS
10	Ki = 0.091 nM	TI LI LO TS
11	Ki = 0.13 nM	TI LI LO TS
12	Ki = 0.18 nM	TI LI LO TS
13	Ki = 0.2 nM	TI LI LO TS
14	Ki = 0.22 nM	TI LI LO TS
15	Ki = 0.23 nM	TI LI LO TS
16	Ki = 0.24 nM	TI LI LO TS
17	Ki = 0.27 nM	TI LI LO TS
18	Ki = 0.296 nM	TI LI LO TS
19	Ki = 0.4571 nM	TI LI LO TS
20	Ki = 0.525 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	5
1	IC50 = 0.2 nM	TI LI LO TS
2	Ki = 0.12 nM	TI LI LO TS
3	Ki = 0.14 nM	TI LI LO TS
4	Ki = 0.2 nM	TI LI LO TS
5	Ki = 0.25 nM	TI LI LO TS
CL000035	NIH 3T3 Cell Line Info	Mus musculus (Mouse)	13
1	Ki = 0.1413 nM	TI LI LO TS
2	Ki = 0.2 nM	TI LI LO TS
3	Ki = 0.2042 nM	TI LI LO TS
4	Ki = 0.263 nM	TI LI LO TS
5	Ki = 0.2884 nM	TI LI LO TS
6	Ki = 0.2951 nM	TI LI LO TS
7	Ki = 0.3 nM	TI LI LO TS
8	Ki = 0.3236 nM	TI LI LO TS
9	Ki = 0.3311 nM	TI LI LO TS
10	Ki = 0.389 nM	TI LI LO TS
11	Ki = 0.39 nM	TI LI LO TS
12	Ki = 0.4 nM	TI LI LO TS
13	Ki = 0.66 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 0.18 nM
2	IC50 = 0.2 nM
3	IC50 = 0.44 nM
4	IC50 = 0.53 nM
5	IC50 = 0.6 nM
6	Kd = 0.15 nM
7	Ki = 0.0823 nM
8	Ki = 0.11 nM
9	Ki = 0.166 nM
10	Ki = 0.35 nM
11	Ki = 0.37 nM
12	Ki = 0.4 nM
13	Ki = 0.53 nM
14	Ki = 0.88 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han