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SMILES: Nc1c(C#N)c2CC(Sc2c(-c2ccc(F)cc2)c1C#N)c1ccc(Cl)cc1

InChI Key: InChIKey=FNICRTZUAYTIFS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431820   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431820
PNG
(CHEMBL2347102)
Show SMILES Nc1c(C#N)c2CC(Sc2c(-c2ccc(F)cc2)c1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13ClFN3S/c23-14-5-1-12(2-6-14)19-9-16-17(10-25)21(27)18(11-26)20(22(16)28-19)13-3-7-15(24)8-4-13/h1-8,19H,9,27H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.92E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair