Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50303952'   

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 (Homo sapiens (Human))	BDBM50303952 (2-(Dimethylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,...) Show SMILES CN(C)C(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1O |r| Show InChI InChI=1S/C16H19NO7/c1-17(2)16(20)24-12-8-22-13-11(7-21-14(12)13)23-15(19)9-5-3-4-6-10(9)18/h3-6,11-14,18H,7-8H2,1-2H3/t11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
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