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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50253231   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Homo sapiens (Human))	BDBM50253231 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50253231 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of BuChE in human liver microsomes				J Med Chem 53: 1190-9 (2010) Article DOI: 10.1021/jm9014845 BindingDB Entry DOI: 10.7270/Q26M37S1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50253231 ((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 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50253231 ((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 |r| 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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of electric eel AchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair