Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50079205'   

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))	BDBM50079205 (CHEMBL3416667) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN(C)C)c(Cl)c1 Show InChI InChI=1S/C20H20ClNO4/c1-22(2)8-9-25-17-7-4-13(10-16(17)21)11-19-20(23)15-6-5-14(24-3)12-18(15)26-19/h4-7,10-12H,8-9H2,1-3H3/b19-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...				Eur J Med Chem 94: 195-210 (2015) Article DOI: 10.1016/j.ejmech.2015.02.055 BindingDB Entry DOI: 10.7270/Q2959K85
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