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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306688   

TargetCholinesterase(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50306688(CHEMBL606050 | Isosorbide-di-(butylcarbamate))
Show SMILES CCCCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCCCC
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
Affinity DataIC50: 1.22E+3nMAssay Description:Inhibition of human plasma BuChE preincubated for 30 mins before substrate addition by Ellman's assayMore data for this Ligand-Target Pair