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SMILES: CCC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1

InChI Key: InChIKey=FDUDHTXZERVRTN-OCVGTWLNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252783   
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))		BDBM50252783
PNG
(CHEMBL493672 | Isosorbide-2-benzylcarbamate-5-prop...)
Show SMILES CCC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C17H21NO6/c1-2-14(19)23-12-9-21-16-13(10-22-15(12)16)24-17(20)18-8-11-6-4-3-5-7-11/h3-7,12-13,15-16H,2,8-10H2,1H3,(H,18,20)/t12-,13+,15-,16-/m1/s1
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Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuchE by Ellman's method

J Med Chem 51: 6400-9 (2008)


Article DOI: 10.1021/jm800564y
BindingDB Entry DOI: 10.7270/Q2RV0NJ3
More data for this
Ligand-Target Pair