BDBM50016938 CHEMBL3277095

SMILES: CS([O-])(=O)=O.C[N+](C)(C)CCSP1(=O)OCCCO1

InChI Key: InChIKey=XRVIOPHNBSLUMW-UHFFFAOYSA-M

Data: 1 KI

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 1 hit for monomerid = 50016938   

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 (Electrophorus electricus (Electric eel))	BDBM50016938 (CHEMBL3277095) Show SMILES CS([O-])(=O)=O.C[N+](C)(C)CCSP1(=O)OCCCO1 Show InChI InChI=1S/C8H19NO3PS.CH4O3S/c1-9(2,3)5-8-14-13(10)11-6-4-7-12-13;1-5(2,3)4/h4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method				J Med Chem 19: 810-3 (1976) BindingDB Entry DOI: 10.7270/Q2N58NX7
					More data for this Ligand-Target Pair