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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50111772'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50111772
PNG
(CHEMBL3605357)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1
Show InChI InChI=1S/C22H37N5O8/c1-26-7-2-3-12(26)4-6-24-11-16(35-21-19(31)18(30)15(10-23)34-21)14-9-13(28)20(33-14)27-8-5-17(29)25-22(27)32/h5,8,12-16,18-21,24,28,30-31H,2-4,6-7,9-11,23H2,1H3,(H,25,29,32)/t12?,13-,14+,15-,16+,18-,19-,20-,21+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay

J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair