Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50319979'   

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))	BDBM50319979 (2-morpholino-N-(naphthalen-1-ylmethyl)pyrimidin-4-...) Show SMILES C(Nc1ccnc(n1)N1CCOCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4O/c1-2-7-17-15(4-1)5-3-6-16(17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)	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	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method				Bioorg Med Chem 19: 2269-81 (2011) Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50319979 (2-morpholino-N-(naphthalen-1-ylmethyl)pyrimidin-4-...) Show SMILES C(Nc1ccnc(n1)N1CCOCC1)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N4O/c1-2-7-17-15(4-1)5-3-6-16(17)14-21-18-8-9-20-19(22-18)23-10-12-24-13-11-23/h1-9H,10-14H2,(H,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 3606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.108 BindingDB Entry DOI: 10.7270/Q2GM87GC
					More data for this Ligand-Target Pair