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(Homo sapiens (Human))
Harvard University

Curated by ChEMBL

LigandBDBM8978((Propylcarbonylthioethyl)trimethylammonium iodide ...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
University Of North Carolina

Curated by ChEMBL

LigandBDBM8978((Propylcarbonylthioethyl)trimethylammonium iodide ...)Copy SMILESCopy InChI

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

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI