Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50182489'   

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 (Homo sapiens (Human))	BDBM50182489 (CHEMBL3818374) Show SMILES Oc1ccc(CCCCCCCCC(c2ccc(O)c(C(=O)CCCCCCCCc3ccc(O)c(O)c3)c2O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C42H52O9/c43-32-23-20-28(26-38(32)49)14-9-5-1-3-7-11-16-30(40-34(45)18-13-19-35(40)46)31-22-25-37(48)41(42(31)51)36(47)17-12-8-4-2-6-10-15-29-21-24-33(44)39(50)27-29/h13,18-27,30,43-46,48-51H,1-12,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
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