BDBM50306695 CHEMBL603100::Isosorbide-di-(4-nitrophenyl carbamate)

SMILES [O-][N+](=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)OC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1

InChI Key InChIKey=DHXOUOFGQLLAMG-XMTFNYHQSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306695   

TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Trinity College

Curated by ChEMBL
LigandPNGBDBM50306695(CHEMBL603100 | Isosorbide-di-(4-nitrophenyl carbam...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)OC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O10/c25-19(21-11-1-5-13(6-2-11)23(27)28)33-15-9-31-18-16(10-32-17(15)18)34-20(26)22-12-3-7-14(8-4-12)24(29)30/h1-8,15-18H,9-10H2,(H,21,25)(H,22,26)/t15-,16+,17-,18-/m1/s1
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of electric eel AChE preincubated for 30 mins before substrate addition by Ellman's assayMore data for this Ligand-Target Pair