BDBM50253226 CHEMBL494519::Isosorbide-2-(propylcarbamate)-5-mononitrate

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

InChI Key: InChIKey=HZZGTUOWJWTZKT-JQCXWYLXSA-N

Data: 2 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 2 hits for monomerid = 50253226   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50253226 (CHEMBL494519 | Isosorbide-2-(propylcarbamate)-5-mo...) Show SMILES CCCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O |r| Show InChI InChI=1S/C10H16N2O7/c1-2-3-11-10(13)18-6-4-16-9-7(19-12(14)15)5-17-8(6)9/h6-9H,2-5H2,1H3,(H,11,13)/t6-,7+,8+,9+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+6	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
Cholinesterase (Homo sapiens (Human))	BDBM50253226 (CHEMBL494519 | Isosorbide-2-(propylcarbamate)-5-mo...) Show SMILES CCCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O |r| Show InChI InChI=1S/C10H16N2O7/c1-2-3-11-10(13)18-6-4-16-9-7(19-12(14)15)5-17-8(6)9/h6-9H,2-5H2,1H3,(H,11,13)/t6-,7+,8+,9+/m0/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	639	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