BDBM50026470 (2-Hydroxy-ethyl)-dimethyl-sulfonium; iodide::CHEMBL25355

SMILES: CS(C)(I)CCO

InChI Key: InChIKey=DKNXBCXXMBCRQY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50026470   

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
Choline Acetyltransferase (RAT)	BDBM50026470 ((2-Hydroxy-ethyl)-dimethyl-sulfonium; iodide | CHE...) Show SMILES CS(C)(I)CCO Show InChI InChI=1S/C4H11IOS/c1-7(2,5)4-3-6/h6H,3-4H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)				J Med Chem 28: 1309-13 (1985) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair
Choline acetylase (RAT)	BDBM50026470 ((2-Hydroxy-ethyl)-dimethyl-sulfonium; iodide | CHE...) Show SMILES CS(C)(I)CCO Show InChI InChI=1S/C4H11IOS/c1-7(2,5)4-3-6/h6H,3-4H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)				J Med Chem 28: 1309-13 (1985) BindingDB Entry DOI: 10.7270/Q26W994C
					More data for this Ligand-Target Pair