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BDBM50360919 CHEMBL1935154

SMILES: COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccccc3Cl)C(=O)c2cc1OC

InChI Key: InChIKey=OKHRNAOCKKMZOM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360919   
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))		BDBM50360919
PNG
(CHEMBL1935154)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccccc3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C29H24ClN3O6S/c1-38-23-9-15-12-28(26(34)18(15)11-24(23)39-2)25(17-5-3-4-6-20(17)30)22-13-40-14-32(22)29(28)19-10-16(33(36)37)7-8-21(19)31-27(29)35/h3-11,22,25H,12-14H2,1-2H3,(H,31,35)
UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/a 2.12E+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