BDBM50253229 CHEMBL445695::Isosorbide-2-(benzylcarbamate)-5-mononitrate

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

InChI Key InChIKey=XCUJUZNXFHRMEC-UMSGYPCISA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50253229   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253229(CHEMBL445695 | Isosorbide-2-(benzylcarbamate)-5-mo...)
Show SMILES [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1
Show InChI InChI=1S/C14H16N2O7/c17-14(15-6-9-4-2-1-3-5-9)22-10-7-20-13-11(23-16(18)19)8-21-12(10)13/h1-5,10-13H,6-8H2,(H,15,17)/t10-,11+,12+,13+/m0/s1
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human plasma BuchE after 60 mins by carbamylation assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253229(CHEMBL445695 | Isosorbide-2-(benzylcarbamate)-5-mo...)
Show SMILES [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1
Show InChI InChI=1S/C14H16N2O7/c17-14(15-6-9-4-2-1-3-5-9)22-10-7-20-13-11(23-16(18)19)8-21-12(10)13/h1-5,10-13H,6-8H2,(H,15,17)/t10-,11+,12+,13+/m0/s1
Affinity DataIC50: 51nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair