BDBM29611 2-Iodomelatonin::CHEMBL289233::Melatonin,2-Iodo

SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1

InChI Key InChIKey=FJDDSMSDZHURBJ-UHFFFAOYSA-N

Data  26 KI  3 IC50  1 ITC

PDB links: 4 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 29 hits for monomerid = 29611   

TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0100nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0100nMMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
University of Urbino

Curated by ChEMBL
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0210nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/KaMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(GUINEA PIG)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1A(Sheep)
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1C(Gallus gallus)
Universit£

Curated by ChEMBL
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0324nMAssay 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 1A(GUINEA PIG)
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0400nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0500nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0500nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0680nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0800nMAssay Description:Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.0900nMMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A/1B/1C(Gallus gallus)
University of Groningen

Curated by ChEMBL
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.130nMAssay Description:Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.150nMAssay Description:Compound was tested for binding affinity against human Melatonin receptor type 1B in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.160nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.170nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.190nMMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.220nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.220nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.240nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor(RABBIT)
Northwestern University

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  0.270nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor(RABBIT)
Northwestern University

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  2.5nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Institut De Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataKi:  6.5nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membraneMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
University of Urbino

Curated by ChEMBL
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataIC50:  0.00500nMAssay Description:Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development

Curated by PDSP Ki Database
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataIC50:  1nMAssay Description:Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.More data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Institut De Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Affinity DataIC50:  1.10E+3nMpH: 8.0 T: 2°CAssay Description:The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotome...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 29611   

CellQuinone Reductase 2 (QR2)(Homo sapiens (Human))
University of Illinois At Chicago

SyringePNGBDBM29611(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
ITC DataΔG°: -8.49kcal/mole −TΔS°: -0.648kcal/mole ΔH°: -7.84kcal/mole logk: 1.43E+6
pH: 7.5 T: 25.00°C