BDBM50253263 CHEMBL492481::Isosorbide-2-benzylcarbamate-5-isonicotinate

SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccncc1

InChI Key InChIKey=CPCJEEMJBNMGOE-XMTFNYHQSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50253263   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253263(CHEMBL492481 | Isosorbide-2-benzylcarbamate-5-ison...)
Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccncc1
Show InChI InChI=1S/C20H20N2O6/c23-19(14-6-8-21-9-7-14)27-15-11-25-18-16(12-26-17(15)18)28-20(24)22-10-13-4-2-1-3-5-13/h1-9,15-18H,10-12H2,(H,22,24)/t15-,16+,17-,18-/m1/s1
Affinity DataIC50: 88nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair