Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50306349'   

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))	BDBM50306349 (4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(4-mo...) Show SMILES CC(C)c1ccc(cc1)C(=O)CC(N1CCOCC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H28N2O3/c1-17(2)18-8-10-19(11-9-18)22(26)16-21(25-12-14-28-15-13-25)23(27)24-20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 1181-93 (2010) Article DOI: 10.1016/j.bmc.2009.12.042 BindingDB Entry DOI: 10.7270/Q2ZW1M1J
					More data for this Ligand-Target Pair