BDBM50253231 (3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofuro[3,2-b]furan-3-yl benzoate::CHEMBL523830::Isosorbide-2-(benzylcarbamate)-5-benzoate

SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1

InChI Key InChIKey=NIWDLVRLOCHGOV-FCGDIQPGSA-N

Data  4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50253231   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253231((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...)
Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1
Show InChI InChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1
Affinity DataIC50: 4.30nMAssay Description:Inhibition of human plasma BuchE by Ellman's methodMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253231((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...)
Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1
Show InChI InChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1
Affinity DataIC50: 4.30nMAssay Description:Inhibition of BuChE in human liver microsomesMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253231((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...)
Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1
Show InChI InChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1
Affinity DataIC50: 2.21E+5nMAssay Description:Inhibition of human erythrocyte AchE by Ellman's methodMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50253231((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...)
Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1
Show InChI InChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1
Affinity DataIC50: 2.73E+5nMAssay Description:Inhibition of electric eel AchE by Ellman's methodMore data for this Ligand-Target Pair