Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50149950'   

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))	BDBM50149950 (CHEMBL3770572) Show SMILES C[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C22H20ClN3O4S/c23-18-11-9-17(10-12-18)22(28)26-14-13-25-21(27)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,27)(H,26,28)(H2,24,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of equine serum BChE by spectrophotometric-based Ellman's method				Bioorg Med Chem 24: 1560-72 (2016) Article DOI: 10.1016/j.bmc.2016.02.033 BindingDB Entry DOI: 10.7270/Q2XW4MPW
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