Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50114365'   

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))	BDBM50114365 (CHEMBL3604196) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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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