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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29612   

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL

LigandBDBM29612(CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...)Copy SMILESCopy InChI

Affinity DataIC50:  9.36E+4nMAssay Description:Inhibition of human Notum using OPTS substrate by fluorescence based assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankKEGGMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI