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BDBM50447020 CHEMBL3116294

SMILES: [O-][N+](=O)c1ccc2n(CCN3CCCCC3)nc(OCc3ccc4ccccc4c3)c2c1

InChI Key: InChIKey=MSONOJVDYMPNLV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447020   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))		BDBM50447020
PNG
(CHEMBL3116294)
Show SMILES [O-][N+](=O)c1ccc2n(CCN3CCCCC3)nc(OCc3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C25H26N4O3/c30-29(31)22-10-11-24-23(17-22)25(26-28(24)15-14-27-12-4-1-5-13-27)32-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method

Eur J Med Chem 73: 56-72 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.026
BindingDB Entry DOI: 10.7270/Q2474CC8
More data for this
Ligand-Target Pair