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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436823'   
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))		BDBM50436823
PNG
(CHEMBL3038147)
Show SMILES CN1C\C(=C/c2cccc(F)c2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(F)c1 |r|
Show InChI InChI=1S/C37H32F2N2O2/c1-40-21-26(18-23-8-4-12-27(38)19-23)34(42)36(22-40)33(25-11-5-13-28(39)20-25)31-16-2-3-17-41(31)37(36)30-15-7-10-24-9-6-14-29(32(24)30)35(37)43/h4-15,18-20,31,33H,2-3,16-17,21-22H2,1H3/b26-18+/t31-,33-,36-,37-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.26E+4n/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