BDBM50055164 (2-Mercapto-ethyl)-trimethyl-ammonium; iodide::CHEMBL136145::CHEMBL147699

SMILES: C[N+](C)(C)CCS

InChI Key: InChIKey=VFUGTBZQGUVGEX-UHFFFAOYSA-O

Data: 2 IC50

PDB links: 12 PDB IDs match this monomer.

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 = 50055164   

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))	BDBM50055164 ((2-Mercapto-ethyl)-trimethyl-ammonium; iodide | CH...) Show SMILES C[N+](C)(C)CCS Show InChI InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition acetylcholinesterase (AChE) enzyme.				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50055164 ((2-Mercapto-ethyl)-trimethyl-ammonium; iodide | CH...) Show SMILES C[N+](C)(C)CCS Show InChI InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase				J Med Chem 39: 5064-71 (1997) Article DOI: 10.1021/jm950771r BindingDB Entry DOI: 10.7270/Q2PZ59GC
					More data for this Ligand-Target Pair				3D Structure (crystal)