BDBM50253227 CHEMBL494520::Isosorbide-2-(butylcarbamate)-5-mononitrate

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

InChI Key InChIKey=ZRPGNSMQMBUVBC-SGIHWFKDSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50253227   

TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253227(CHEMBL494520 | Isosorbide-2-(butylcarbamate)-5-mon...)
Show SMILES CCCCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C11H18N2O7/c1-2-3-4-12-11(14)19-7-5-17-10-8(20-13(15)16)6-18-9(7)10/h7-10H,2-6H2,1H3,(H,12,14)/t7-,8+,9+,10+/m0/s1
Affinity DataIC50: 1.44E+6nMAssay Description:Inhibition of electric eel AchE by Ellman's methodMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253227(CHEMBL494520 | Isosorbide-2-(butylcarbamate)-5-mon...)
Show SMILES CCCCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
Show InChI InChI=1S/C11H18N2O7/c1-2-3-4-12-11(14)19-7-5-17-10-8(20-13(15)16)6-18-9(7)10/h7-10H,2-6H2,1H3,(H,12,14)/t7-,8+,9+,10+/m0/s1
Affinity DataIC50: 894nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair