Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50303954'   

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))	BDBM50303954 (2-(Morpholinocarbonyloxy-)5-O-salicyloyl-1,4:3,6-d...) Show SMILES Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C18H21NO8/c20-12-4-2-1-3-11(12)17(21)26-13-9-24-16-14(10-25-15(13)16)27-18(22)19-5-7-23-8-6-19/h1-4,13-16,20H,5-10H2/t13-,14+,15-,16-/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	1.06E+3	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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