Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50241978'   

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 (Homo sapiens (Human))	BDBM50241978 (CHEMBL4093928) Show SMILES CCO[P@@](=O)(SCC)c1ccccc1 |r| Show InChI InChI=1S/C10H15O2PS/c1-3-12-13(11,14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 30 secs by Ellman's method				Bioorg Med Chem 25: 3053-3058 (2017) Article DOI: 10.1016/j.bmc.2017.03.058 BindingDB Entry DOI: 10.7270/Q2H70J09
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50241978 (CHEMBL4093928) Show SMILES CCO[P@@](=O)(SCC)c1ccccc1 |r| Show InChI InChI=1S/C10H15O2PS/c1-3-12-13(11,14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri St. Louis Curated by ChEMBL					Assay Description Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate measured for 30 secs by Ellman's method				Bioorg Med Chem 25: 3053-3058 (2017) Article DOI: 10.1016/j.bmc.2017.03.058 BindingDB Entry DOI: 10.7270/Q2H70J09
					More data for this Ligand-Target Pair