Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50024887'   

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))	BDBM50024887 (CHEMBL3335054) Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12 Show InChI InChI=1S/C28H34N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-3,8-9,12-13,20H,4-7,10-11,14-19,21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Mediterranean University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 5141-54 (2014) Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB
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