BDBM50059897 CHEMBL104891::Trimethyl-(2-propylsulfanylcarbonyloxy-ethyl)-ammonium; chloride

SMILES: CCCSC(=O)OCC[N+](C)(C)C

InChI Key: InChIKey=FWIQOYKQYAXPQZ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50059897   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50059897 (CHEMBL104891 | Trimethyl-(2-propylsulfanylcarbonyl...) Show SMILES CCCSC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C9H20NO2S/c1-5-8-13-9(11)12-7-6-10(2,3)4/h5-8H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of North Texas Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase from human red blood cells				J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50059897 (CHEMBL104891 | Trimethyl-(2-propylsulfanylcarbonyl...) Show SMILES CCCSC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C9H20NO2S/c1-5-8-13-9(11)12-7-6-10(2,3)4/h5-8H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of North Texas Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase activity from octopus brain				J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50059897 (CHEMBL104891 | Trimethyl-(2-propylsulfanylcarbonyl...) Show SMILES CCCSC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C9H20NO2S/c1-5-8-13-9(11)12-7-6-10(2,3)4/h5-8H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of North Texas Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase activity of calf forebrain				J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6
					More data for this Ligand-Target Pair