BDBM29612 CHEMBL33103::CVD-0001578::JOH-MSK-a63bdd1d-4::N-ACETYL SEROTONIN::N-Acetyl-5-hydroxytryptamine::N-Acetyltryptamine,5-Hydroxy::N-acetylserotonin::Normelatonin::Serotonin,N-acetyl

SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12

InChI Key InChIKey=MVAWJSIDNICKHF-UHFFFAOYSA-N

Data  14 KI  7 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 29612   

TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  79.4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  148nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  189nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  210nMMore 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
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  223nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor(RABBIT)
Northwestern University

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  273nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  302nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  339nMMore 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
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  347nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMelatonin receptor type 1A(GUINEA PIG)
Glaxo Wellcome Research And Development

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  398nMMore 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
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  850nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor type 1C(Gallus gallus)
Cnrs-Biocis

Curated by ChEMBL
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  1.64E+3nMAssay Description:In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelatonin receptor(RABBIT)
Northwestern University

Curated by PDSP Ki Database
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  3.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosinase(Mus musculus (Mouse))
National Institute Of Advanced Industrial Science And Technology

Curated by ChEMBL
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataKi:  2.40E+5nMAssay Description:Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosinase(Mus musculus (Mouse))
National Institute Of Advanced Industrial Science And Technology

Curated by ChEMBL
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataIC50:  3.11E+5nMAssay Description:Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
University Of Illinois At Chicago

LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataIC50:  9.90E+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
In DepthDetails ArticlePubMed
TargetSepiapterin reductase(Homo sapiens (Human))
Gr�Nenthal

Curated by ChEMBL
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of human sepiapterin reductase using L-sepiapterin as substrate preincubated for 15 mins followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Israel Institution Of Biological Research

LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataIC50:  9.90E+4nMAssay Description:The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Israel Institution Of Biological Research

LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataIC50:  9.95E+4nMAssay Description:Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for...More data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Israel Institution Of Biological Research

LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataIC50:  9.95E+4nMAssay Description:Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat. no. 784900) using an Echo 555 acoustic dispenser, and dimethyl sulfoxide ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)
Affinity DataIC50:  9.36E+4nMAssay Description:Inhibition of human Notum using OPTS substrate by fluorescence based assayMore data for this Ligand-Target Pair