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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436803'   
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))		BDBM50436803
PNG
(CHEMBL3038152)
Show SMILES CN1C\C(=C/c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C43H34N2O2S/c1-44-23-31(22-30-16-6-12-27-10-2-4-17-32(27)30)40(46)42(25-44)39(34-19-7-13-28-11-3-5-18-33(28)34)37-24-48-26-45(37)43(42)36-21-9-15-29-14-8-20-35(38(29)36)41(43)47/h2-22,37,39H,23-26H2,1H3/b31-22+/t37-,39-,42-,43-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.48E+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