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SMILES: [O-][N+](=O)c1cccc(c1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1

InChI Key: InChIKey=QPYAYFHGPCRUDB-FCGDIQPGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50303944   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cholinesterase


(Homo sapiens (Human))		BDBM50303944
PNG
(2-(Benzylaminocarbonyloxy-)5-O-(m-nitro-benzoyl)-1...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C21H20N2O8/c24-20(14-7-4-8-15(9-14)23(26)27)30-16-11-28-19-17(12-29-18(16)19)31-21(25)22-10-13-5-2-1-3-6-13/h1-9,16-19H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human liver microsomes

J Med Chem 53: 1190-9 (2010)


Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1
More data for this
Ligand-Target Pair