BDBM50252783 CHEMBL493672::Isosorbide-2-benzylcarbamate-5-propionate

SMILES CCC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1

InChI Key InChIKey=FDUDHTXZERVRTN-OCVGTWLNSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252783   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50252783(CHEMBL493672 | Isosorbide-2-benzylcarbamate-5-prop...)
Show SMILES CCC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1
Show InChI InChI=1S/C17H21NO6/c1-2-14(19)23-12-9-21-16-13(10-22-15(12)16)24-17(20)18-8-11-6-4-3-5-7-11/h3-7,12-13,15-16H,2,8-10H2,1H3,(H,18,20)/t12-,13+,15-,16-/m1/s1
Affinity DataIC50: 980nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair