Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50500691'   

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))	BDBM50500691 (CHEMBL3754448) Show SMILES CCN(Cc1cccc2[nH]c3cc(Cl)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C25H23ClN2O3/c1-3-28(24(30)12-8-16-7-11-22(29)23(13-16)31-2)15-17-5-4-6-20-25(17)19-10-9-18(26)14-21(19)27-20/h4-14,27,29H,3,15H2,1-2H3/b12-8+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	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))	BDBM50500691 (CHEMBL3754448) Show SMILES CCN(Cc1cccc2[nH]c3cc(Cl)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C25H23ClN2O3/c1-3-28(24(30)12-8-16-7-11-22(29)23(13-16)31-2)15-17-5-4-6-20-25(17)19-10-9-18(26)14-21(19)27-20/h4-14,27,29H,3,15H2,1-2H3/b12-8+	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	6.90E+3	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