BDBM9019 CHEMBL45::Melatonin::N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

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

InChI Key InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N

Data  176 KI  33 IC50  1 Kd  23 EC50  1 ITC

PDB links: 9 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 9019   

TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataKi:  28nMAssay Description:Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.More data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataKi:  57nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membraneMore data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataIC50:  1.13E+4nMpH: 7.5 T: 2°CAssay Description:The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...More data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataIC50:  1.13E+4nMpH: 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
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataIC50:  65nMAssay Description:Binding affinity to human MT3 receptorMore data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataIC50:  6.60E+3nMAssay Description:Binding affinity to quinine reductase 2 using MTT and NMeH as substratesMore data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataIC50:  1.13E+4nMAssay Description:Binding affinity to human recombinant quinine reductase 2 expressed in Escherichia coli BL21 (DE3) using menadione and NMeH as substratesMore data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataIC50:  64.6nMAssay Description:Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cellsMore data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataIC50:  6.60E+3nMAssay Description:Inhibition of QR2 (unknown origin) using MTT and NMeH as substratesMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 9019   

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

SyringePNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
ITC DataΔG°: -8.06kcal/mole −TΔS°: 2.38kcal/mole ΔH°: -10.4kcal/mole logk: 7.14E+5
pH: 7.5 T: 25.00°C