BDBM8978 (Propylcarbonylthioethyl)trimethylammonium iodide::CHEMBL139908::CHEMBL148530::[2-(butanoylsulfanyl)ethyl]trimethylazanium iodide::butyrylthiocholine::butyrylthiocholine chloride

SMILES CCCC(=O)SCC[N+](C)(C)C

InChI Key InChIKey=AWBGQVBMGBZGLS-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 8978   

TargetAcetylcholinesterase(Pacific electric ray)
University of North Carolina

Curated by ChEMBL

LigandBDBM8978(CHEMBL148530 | butyrylthiocholine chloride | [2-(b...)Copy SMILESCopy InChI

Affinity DataIC50: 1.26E+5nMAssay Description:Inhibitory activity against AcetylcholinesteraseMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankKEGGPC cidPC sidPDBSimilars

In Depth
Date in BDB:
11/3/2012
Entry Details Article
Copy Entry DOIPubMed
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TargetAcetylcholinesterase(Human)
Harvard University

Curated by ChEMBL

LigandBDBM8978(CHEMBL148530 | butyrylthiocholine chloride | [2-(b...)Copy SMILESCopy InChI

Affinity DataIC50: 1.26E+5nMAssay Description:Inhibition acetylcholinesterase (AChE) enzyme.More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankKEGGPC cidPC sidPDBSimilars

In Depth
Date in BDB:
5/20/2013
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL