Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50253226'   

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))	BDBM50253226 (CHEMBL494519 | Isosorbide-2-(propylcarbamate)-5-mo...) Show SMILES CCCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O |r| Show InChI InChI=1S/C10H16N2O7/c1-2-3-11-10(13)18-6-4-16-9-7(19-12(14)15)5-17-8(6)9/h6-9H,2-5H2,1H3,(H,11,13)/t6-,7+,8+,9+/m0/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	639	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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