Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Agomelatine
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 PubChem ID
CID: 82148
SID: 12014766
Canonical SMILES
COc1ccc2cccc(CCNC(C)=O)c2c1
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Compound Formula C15H17NO2
Compound Structure
Protein Name
 Protein Info 
Melatonin receptor type 1B
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
P49286
Gene Name
MTNR1B
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)  7
1
EC50 = 0.06918 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.1 nM
   TI
   LI
   LO
   TS
3
EC50 = 0.18 nM
   TI
   LI
   LO
   TS
4
Ki = 0.2 nM
   TI
   LI
   LO
   TS
5
Ki = 0.21 nM
   TI
   LI
   LO
   TS
6
Ki = 0.27 nM
   TI
   LI
   LO
   TS
7
Ki = 0.3802 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
Ki = 0.1 nM
   TI
   LI
   LO
   TS
2
Ki = 0.27 nM
   TI
   LI
   LO
   TS
3
Ki = 0.45 nM
   TI
   LI
   LO
   TS