Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50346859'   

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))	BDBM50346859 (CHEMBL1797184) Show SMILES COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CCO[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)CN2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:55| Show InChI InChI=1S/C43H50N4O5/c1-49-30-9-5-7-28-32(30)47-24-39(20-25-21-40-13-18-51-31(40)10-15-45-16-12-43(28,34(25)47)36(40)45)23-46-17-11-42-27-6-3-4-8-29(27)44-33(42)26(35(48)50-2)22-41(37(42)46)14-19-52-38(39)41/h3-9,25-26,31,34,36-38H,10-24H2,1-2H3/t25-,26?,31+,34+,36+,37+,38+,39+,40-,41+,42+,43+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Santo Tomas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by colorimetric Ellman's assay				Eur J Med Chem 46: 3118-23 (2011) Article DOI: 10.1016/j.ejmech.2011.04.025 BindingDB Entry DOI: 10.7270/Q27P8ZR5
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