Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50365781'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50365781 (CHEMBL1956560) Show SMILES O=C1c2ccc(NCCCN3CCCCC3)cc2-c2nccc3cccc1c23 Show InChI InChI=1S/C24H25N3O/c28-24-19-9-8-18(25-11-5-15-27-13-2-1-3-14-27)16-21(19)23-22-17(10-12-26-23)6-4-7-20(22)24/h4,6-10,12,16,25H,1-3,5,11,13-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry& Chemical Engineering of Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE after 15 mins incubation by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 22: 2257-61 (2012) Article DOI: 10.1016/j.bmcl.2012.01.090 BindingDB Entry DOI: 10.7270/Q2HH6KJX
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