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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50430737'   
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))		BDBM50430737
PNG
(CHEMBL2333932)
Show SMILES C[C@H](Cc1ccc(OCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C |r|
Show InChI InChI=1S/C28H33N3O/c1-4-18-31(3)21(2)20-22-13-15-23(16-14-22)32-19-17-29-28-24-9-5-7-11-26(24)30-27-12-8-6-10-25(27)28/h1,5,7,9,11,13-16,21H,6,8,10,12,17-20H2,2-3H3,(H,29,30)/t21-/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method

Eur J Med Chem 62: 745-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.039
BindingDB Entry DOI: 10.7270/Q2C82BN6
More data for this
Ligand-Target Pair