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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436827'   
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))		BDBM50436827
PNG
(CHEMBL3038161)
Show SMILES CN1C\C(=C/c2ccccc2C)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1C |r|
Show InChI InChI=1S/C39H38N2O2/c1-25-12-4-6-14-28(25)22-29-23-40(3)24-38(36(29)42)35(30-17-7-5-13-26(30)2)33-20-8-9-21-41(33)39(38)32-19-11-16-27-15-10-18-31(34(27)32)37(39)43/h4-7,10-19,22,33,35H,8-9,20-21,23-24H2,1-3H3/b29-22+/t33-,35-,38-,39-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.86E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair