Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50500688'   

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 (Electrophorus electricus (Electric eel))	BDBM50500688 (CHEMBL3754631) Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C(C)C)ccc1O Show InChI InChI=1S/C26H26N2O3/c1-17(2)28(25(30)14-12-18-11-13-23(29)24(15-18)31-3)16-19-7-6-10-22-26(19)20-8-4-5-9-21(20)27-22/h4-15,17,27,29H,16H2,1-3H3/b14-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay				Bioorg Med Chem 24: 886-93 (2016) Article DOI: 10.1016/j.bmc.2016.01.010 BindingDB Entry DOI: 10.7270/Q23R0WWJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50500688 (CHEMBL3754631) Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C(C)C)ccc1O Show InChI InChI=1S/C26H26N2O3/c1-17(2)28(25(30)14-12-18-11-13-23(29)24(15-18)31-3)16-19-7-6-10-22-26(19)20-8-4-5-9-21(20)27-22/h4-15,17,27,29H,16H2,1-3H3/b14-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of human AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay				Bioorg Med Chem 24: 886-93 (2016) Article DOI: 10.1016/j.bmc.2016.01.010 BindingDB Entry DOI: 10.7270/Q23R0WWJ
					More data for this Ligand-Target Pair