Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50377439'   

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))	BDBM50377439 (CHEMBL257126) Show SMILES COc1cc(\C=C\C(=O)NCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C28H33N3O3/c1-34-26-19-20(13-15-25(26)32)14-16-27(33)29-17-7-2-8-18-30-28-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)28/h3,5,9,11,13-16,19,32H,2,4,6-8,10,12,17-18H2,1H3,(H,29,33)(H,30,31)/b16-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem Lett 22: 3181-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.046 BindingDB Entry DOI: 10.7270/Q2Z60Q2Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50377439 (CHEMBL257126) Show SMILES COc1cc(\C=C\C(=O)NCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C28H33N3O3/c1-34-26-19-20(13-15-25(26)32)14-16-27(33)29-17-7-2-8-18-30-28-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)28/h3,5,9,11,13-16,19,32H,2,4,6-8,10,12,17-18H2,1H3,(H,29,33)(H,30,31)/b16-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AchE by Ellman's assay				Bioorg Med Chem Lett 18: 2905-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.073 BindingDB Entry DOI: 10.7270/Q2M909KN
					More data for this Ligand-Target Pair