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BDBM50360916 CHEMBL1935151

SMILES: COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccncc3)C(=O)c2cc1OC

InChI Key: InChIKey=QIFGLWSLSZQTRM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360916   
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))		BDBM50360916
PNG
(CHEMBL1935151)
Show SMILES COc1cc2CC3(C(C4CSCN4C33C(=O)Nc4ccc(cc34)[N+]([O-])=O)c3ccncc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H24N4O6S/c1-37-22-9-16-12-27(25(33)18(16)11-23(22)38-2)24(15-5-7-29-8-6-15)21-13-39-14-31(21)28(27)19-10-17(32(35)36)3-4-20(19)30-26(28)34/h3-11,21,24H,12-14H2,1-2H3,(H,30,34)
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Article
PubMed
n/an/a 110n/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