Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50190651'   

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))	BDBM50190651 (CHEMBL3956367) Show SMILES [H][C@]12CN(Cc3cc4OCOc4cc13)[C@@]1([H])[C@H](OC)[C@@H](O)CC=C21 |r,t:25| Show InChI InChI=1S/C17H19NO4/c1-20-17-13(19)3-2-10-12-7-18(16(10)17)6-9-4-14-15(5-11(9)12)22-8-21-14/h2,4-5,12-13,16-17,19H,3,6-8H2,1H3/t12-,13+,16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de San Juan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATCI as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by DTNB-based s...				J Nat Prod 79: 1241-8 (2016) Article DOI: 10.1021/acs.jnatprod.5b00785 BindingDB Entry DOI: 10.7270/Q2WM1GBJ
					More data for this Ligand-Target Pair