BDBM50303950 CHEMBL583687::Isosorbide-2-benzylcarbamate-5-(o-toluate)

SMILES Cc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1

InChI Key InChIKey=XMIPVPSZMVVUST-IYWMVGAKSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50303950   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50303950(CHEMBL583687 | Isosorbide-2-benzylcarbamate-5-(o-t...)
Show SMILES Cc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1
Show InChI InChI=1S/C22H23NO6/c1-14-7-5-6-10-16(14)21(24)28-17-12-26-20-18(13-27-19(17)20)29-22(25)23-11-15-8-3-2-4-9-15/h2-10,17-20H,11-13H2,1H3,(H,23,25)/t17-,18+,19-,20-/m1/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of BuChE in human liver microsomesMore data for this Ligand-Target Pair