Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50114364'   

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))	BDBM50114364 (CHEMBL3604195) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H34N4O.ClH/c1-31(2)21-16-14-20(15-17-21)27(32)29-19-9-3-8-18-28-26-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)26;/h4,6,10,12,14-17H,3,5,7-9,11,13,18-19H2,1-2H3,(H,28,30)(H,29,32);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
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