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SMILES: CC(C)c1ccc(cc1)C1Cc2c(S1)c(-c1ccc(F)cc1)c(C#N)c(N)c2C#N

InChI Key: InChIKey=YKKGJZHUXNJLNL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431824   
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))		BDBM50431824
PNG
(CHEMBL2347098)
Show SMILES CC(C)c1ccc(cc1)C1Cc2c(S1)c(-c1ccc(F)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C25H20FN3S/c1-14(2)15-3-5-16(6-4-15)22-11-19-20(12-27)24(29)21(13-28)23(25(19)30-22)17-7-9-18(26)10-8-17/h3-10,14,22H,11,29H2,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.42E+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