Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50544931'   

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 (Canis lupus familiaris)	BDBM50544931 (CHEMBL4639673) Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCN3CCCC3)cc2)cc1OC Show InChI InChI=1S/C26H31N3O4S/c1-31-22-11-6-19(16-23(22)32-2)17-25(30)28-26-27-18-24(34-26)20-7-9-21(10-8-20)33-15-5-14-29-12-3-4-13-29/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
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