Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50353684'   

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))	BDBM50353684 (CHEMBL1830627) Show SMILES O=C(CCNCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C34H31N5O2/c40-30(15-16-35-18-19-37-32-24-7-1-3-10-28(24)39-29-11-4-2-8-25(29)32)38-22-12-13-23-27(20-22)34(41)26-9-5-6-21-14-17-36-33(23)31(21)26/h1,3,5-7,9-10,12-14,17,20,35H,2,4,8,11,15-16,18-19H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair