BDBM50306694 CHEMBL600621::Isosorbide-di-(ethylcarbamate)

SMILES: CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCC

InChI Key: InChIKey=IMAKVWCOCNQBSI-UTINFBMNSA-N

Data: 1 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 1 hit for monomerid = 50306694   

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))	BDBM50306694 (CHEMBL600621 | Isosorbide-di-(ethylcarbamate)) Show SMILES CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCC |r| Show InChI InChI=1S/C12H20N2O6/c1-3-13-11(15)19-7-5-17-10-8(6-18-9(7)10)20-12(16)14-4-2/h7-10H,3-6H2,1-2H3,(H,13,15)(H,14,16)/t7-,8+,9-,10-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins before substrate addition by Ellman's assay				Bioorg Med Chem 18: 1045-53 (2010) Article DOI: 10.1016/j.bmc.2009.12.052 BindingDB Entry DOI: 10.7270/Q2CZ3789
					More data for this Ligand-Target Pair