Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50252789'   

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))	BDBM50252789 (CHEMBL494684 | Isosorbide-2-(butylcarbamate)-5-ben...) Show SMILES CCC(C)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H23NO6/c1-3-11(2)19-18(21)25-14-10-23-15-13(9-22-16(14)15)24-17(20)12-7-5-4-6-8-12/h4-8,11,13-16H,3,9-10H2,1-2H3,(H,19,21)/t11?,13-,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	72	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
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