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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436833'   
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))		BDBM50436833
PNG
(CHEMBL3038155)
Show SMILES CN1C\C(=C/c2ccc(C)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C39H38N2O2/c1-25-13-17-27(18-14-25)22-30-23-40(3)24-38(36(30)42)35(29-19-15-26(2)16-20-29)33-12-4-5-21-41(33)39(38)32-11-7-9-28-8-6-10-31(34(28)32)37(39)43/h6-11,13-20,22,33,35H,4-5,12,21,23-24H2,1-3H3/b30-22+/t33-,35-,38-,39-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.24E+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