Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50424057'   

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 (Bos taurus (bovine))	BDBM50424057 (CHEMBL2314430) Show SMILES COc1cc2cc(C(=O)OCCCN(C)Cc3ccccc3)c(=O)oc2cc1OC Show InChI InChI=1S/C23H25NO6/c1-24(15-16-8-5-4-6-9-16)10-7-11-29-22(25)18-12-17-13-20(27-2)21(28-3)14-19(17)30-23(18)26/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...				Bioorg Med Chem 21: 146-52 (2012) Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH
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