Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50149951'   

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))	BDBM50149951 (CHEMBL3771191) Show SMILES C[C@@H](NC(=O)OCC(F)(F)Cl)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C23H23N3O5S/c1-31-19-12-10-18(11-13-19)23(28)26-15-14-25-22(27)17-8-6-16(7-9-17)20-4-2-3-5-21(20)32(24,29)30/h2-13H,14-15H2,1H3,(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	2.56E+4	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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