Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50234769'   

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))	BDBM50234769 (CHEMBL4095908) Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...				Eur J Med Chem 126: 576-589 (2017) Article DOI: 10.1016/j.ejmech.2016.11.050 BindingDB Entry DOI: 10.7270/Q21R6SR5
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