Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50079207'   

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))	BDBM50079207 (CHEMBL3416665) Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C25H30N2O5/c1-5-27(6-2)25(29)31-20-12-13-21-22(17-20)32-23(24(21)28)16-18-8-10-19(11-9-18)30-15-7-14-26(3)4/h8-13,16-17H,5-7,14-15H2,1-4H3/b23-16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	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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