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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9019   

TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Affinity DataKd:  0.0915nMAssay Description:Binding affinity to melatonin receptor measured on ovine pars tuberalis membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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