Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50359515'   

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))	BDBM50359515 (CHEMBL1927135) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCC(=O)NCCc1c[nH]c2ccc(C)cc12 Show InChI InChI=1S/C33H31N3O5/c1-20-3-5-27-24(13-20)23(17-35-27)7-10-34-32(37)9-12-39-33-26-18-36-11-8-22-15-30-31(41-19-40-30)16-25(22)28(36)14-21(26)4-6-29(33)38-2/h3-6,13-18,35H,7-12,19H2,1-2H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's method				Bioorg Med Chem 19: 7228-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.040 BindingDB Entry DOI: 10.7270/Q23F4Q3K
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