BDBM50035179 Agomelatine::CHEMBL10878::N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-acetamide::N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-acetamide(Agomelatine)::S 20098::US10781182, Compound IA2-76::US11091445, Compound code IA2-76::US11980598, Compound Ago

SMILES COc1ccc2cccc(CCNC(C)=O)c2c1

InChI Key InChIKey=YJYPHIXNFHFHND-UHFFFAOYSA-N

Data  46 KI  8 IC50  1 Kd  18 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 50035179   

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank


TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0400nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0420nMAssay Description:The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...More data for this Ligand-Target Pair
In DepthDetails US Patent
DrugBank


TargetMetallothionein-2(Human)
AchÉ

US Patent
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0420nMAssay Description:The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0600nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0600nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Pig)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.0900nMMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.100nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.100nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.100nMAssay Description:Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrateMore data for this Ligand-Target Pair
In DepthDetails DrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.100nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.100nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1A(Pig)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.120nMAssay Description:Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cells incubated for 120 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.120nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor(Rabbit)
Northwestern University

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.140nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.180nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.200nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.200nMAssay Description:The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...More data for this Ligand-Target Pair
In DepthDetails US Patent
DrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.200nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.200nMAssay Description:The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...More data for this Ligand-Target Pair
In DepthDetails US Patent
DrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.210nMAssay Description:Displacement of 2-[125l]-lodomelatonin from human MT2 expressed in CHO cells incubated for 120 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.210nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.230nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.270nMAssay Description:Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.270nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.410nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank


TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.450nMAssay Description:Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMelatonin receptor type 1C(Chicken)
University of Paris

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.537nMAssay Description:Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMelatonin receptor type 1C(Chicken)
University of Paris

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.540nMAssay Description:Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMelatonin receptor type 1C(Chicken)
University of Paris

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.540nMAssay Description:Inhibition of 2-[125I]- iodomelatonin from chicken brain melatonin receptorsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.720nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  0.860nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

Target5-hydroxytryptamine receptor 2B(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  257nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5-hydroxytryptamine receptor 2B(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  257nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5-hydroxytryptamine receptor 2C(Pig)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  407nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5-hydroxytryptamine receptor 2C(Pig)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  407nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5-hydroxytryptamine receptor 2C(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  630nMAssay Description:Binding affinity to 5-HT2C receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target5-hydroxytryptamine receptor 2C(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  708nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target5-hydroxytryptamine receptor 2C(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  708nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target5-hydroxytryptamine receptor 2C(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  708nMAssay Description:Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target5-hydroxytryptamine receptor 2C(Human)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  708nMAssay Description:Displacement of [3H]-mesulergine from human 5-HT2C receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target5-hydroxytryptamine receptor 2A(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi:  4.47E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5-hydroxytryptamine receptor 2A(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target5-hydroxytryptamine receptor 2A(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMelatonin receptor type 1A(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataEC50:  1.40nMAssay Description:Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

TargetMelatonin receptor type 1B(Human)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataEC50:  0.180nMAssay Description:Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataKd:  0.100nMAssay Description:Binding affinity to melatonin receptor measured on ovine pars tuberalis membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Affinity DataIC50:  0.0761nMAssay Description:Monophasic inhibitory concentration against melatonin receptor was measured on ovine pars tuberalis membrane.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
PDB3D3D Structure (crystal)

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