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BDBM50360913 CHEMBL1935148

SMILES: COc1ccc(cc1OC)C1C2CSCN2C2(C(=O)Nc3ccc(Cl)cc23)C11Cc2cc(OC)c(OC)cc2C1=O

InChI Key: InChIKey=KKHDCFIRNGTLJP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360913   
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))		BDBM50360913
PNG
(CHEMBL1935148)
Show SMILES COc1ccc(cc1OC)C1C2CSCN2C2(C(=O)Nc3ccc(Cl)cc23)C11Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C31H29ClN2O6S/c1-37-23-8-5-16(9-24(23)38-2)27-22-14-41-15-34(22)31(20-11-18(32)6-7-21(20)33-29(31)36)30(27)13-17-10-25(39-3)26(40-4)12-19(17)28(30)35/h5-12,22,27H,13-15H2,1-4H3,(H,33,36)
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Article
PubMed
n/an/a 2.24E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method

Bioorg Med Chem Lett 22: 508-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.087
BindingDB Entry DOI: 10.7270/Q21Z44WD
More data for this
Ligand-Target Pair