BDBM50306688 CHEMBL606050::Isosorbide-di-(butylcarbamate)

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

InChI Key: InChIKey=KFJGIBINELGQIA-XJFOESAGSA-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 = 50306688   

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))	BDBM50306688 (CHEMBL606050 | Isosorbide-di-(butylcarbamate)) Show SMILES CCCCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCCCC |r| Show InChI InChI=1S/C16H28N2O6/c1-3-5-7-17-15(19)23-11-9-21-14-12(10-22-13(11)14)24-16(20)18-8-6-4-2/h11-14H,3-10H2,1-2H3,(H,17,19)(H,18,20)/t11-,12+,13-,14-/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	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE 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