Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50500687'   

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))	BDBM50500687 (CHEMBL3754289) Show SMILES CCN(Cc1cccc2[nH]c3cc(OC)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1 Show InChI InChI=1S/C26H26N2O4/c1-4-28(25(30)13-9-17-8-12-23(29)24(14-17)32-3)16-18-6-5-7-21-26(18)20-11-10-19(31-2)15-22(20)27-21/h5-15,27,29H,4,16H2,1-3H3/b13-9+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.16E+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
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