Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50161809'   

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))	BDBM50161809 (CHEMBL3787119) Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC Show InChI InChI=1S/C25H26Br2O8/c1-29-17-9-13(19(26)24(33-5)22(17)31-3)7-15-11-35-12-16(21(15)28)8-14-10-18(30-2)23(32-4)25(34-6)20(14)27/h7-10H,11-12H2,1-6H3/b15-7+,16-8+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 mi...				Bioorg Med Chem 24: 2352-9 (2016) Article DOI: 10.1016/j.bmc.2016.04.015 BindingDB Entry DOI: 10.7270/Q2S46TVJ
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