BDBM50253228 CHEMBL521852::Isosorbide-2-(cyclohexylcarbamate)-5-mononitrate

SMILES [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NC1CCCCC1

InChI Key InChIKey=HHQBHYZANLCQHI-IRCOFANPSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50253228   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253228(CHEMBL521852 | Isosorbide-2-(cyclohexylcarbamate)-...)
Show SMILES [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NC1CCCCC1
Show InChI InChI=1S/C13H20N2O7/c16-13(14-8-4-2-1-3-5-8)21-9-6-19-12-10(22-15(17)18)7-20-11(9)12/h8-12H,1-7H2,(H,14,16)/t9-,10+,11+,12+/m0/s1
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair