BDBM50252789 CHEMBL494684::Isosorbide-2-(butylcarbamate)-5-benzoate

SMILES CCC(C)NC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1

InChI Key InChIKey=PEHJQBISUGKFJH-IXCHPVQKSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252789   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50252789(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
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
Affinity DataIC50: 72nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair