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

InChI Key: InChIKey=WOSIHMSPFKVEAI-UMSGYPCISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252787   
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))		BDBM50252787
PNG
(CHEMBL492636 | Isosorbide-2-benzylcarbamate-5-trif...)
Show SMILES FC(F)(F)S(=O)(=O)OC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C16H16F3NO9S/c17-16(18,19)30(23,24)29-15(22)28-11-8-26-12-10(7-25-13(11)12)27-14(21)20-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,20,21)/t10-,11+,12+,13+/m0/s1
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n/an/a 359n/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