Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50059895'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Bos taurus (bovine))	BDBM50059895 (CHEMBL318749 | Trimethyl-(2-phenylsulfanylcarbonyl...) Show SMILES C[N+](C)(C)CCOC(=O)Sc1ccccc1 Show InChI InChI=1S/C12H18NO2S/c1-13(2,3)9-10-15-12(14)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50059895 (CHEMBL318749 | Trimethyl-(2-phenylsulfanylcarbonyl...) Show SMILES C[N+](C)(C)CCOC(=O)Sc1ccccc1 Show InChI InChI=1S/C12H18NO2S/c1-13(2,3)9-10-15-12(14)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	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 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