Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50064059'   

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 (Rattus norvegicus (rat))	BDBM50064059 (CHEMBL3401025) Show SMILES CCN(CC)C(=O)Oc1cccc(c1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C22H23NO7/c1-5-23(6-2)22(26)29-14-9-7-8-13(10-14)16-11-15(24)19-17(30-16)12-18(27-3)21(28-4)20(19)25/h7-12,25H,5-6H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method				Bioorg Med Chem 23: 668-80 (2015) Article DOI: 10.1016/j.bmc.2015.01.005 BindingDB Entry DOI: 10.7270/Q24T6M2R
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