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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436821'   
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))		BDBM50436821
PNG
(CHEMBL3038149)
Show SMILES CN1C\C(=C/c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C37H30Cl4N2O2/c1-42-19-23(18-22-10-6-14-27(38)32(22)40)34(44)36(20-42)31(25-12-7-15-28(39)33(25)41)29-16-2-3-17-43(29)37(36)26-13-5-9-21-8-4-11-24(30(21)26)35(37)45/h4-15,18,29,31H,2-3,16-17,19-20H2,1H3/b23-18+/t29-,31-,36-,37-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.42E+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