Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50394458'   

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))	BDBM50394458 (CHEMBL2158019) Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCCCCn2c3ccccc3c3ccccc23)cc1 Show InChI InChI=1S/C33H31N3O2/c37-33(34-20-19-25-23-35-30-12-4-1-9-27(25)30)24-15-17-26(18-16-24)38-22-8-7-21-36-31-13-5-2-10-28(31)29-11-3-6-14-32(29)36/h1-6,9-18,23,35H,7-8,19-22H2,(H,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
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