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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436810'   
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))		BDBM50436810
PNG
(CHEMBL3038166)
Show SMILES CN1C\C(=C/c2ccccc2C)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1C |r|
Show InChI InChI=1S/C37H34N2O2S/c1-23-10-4-6-12-26(23)18-27-19-38(3)21-36(34(27)40)33(28-15-7-5-11-24(28)2)31-20-42-22-39(31)37(36)30-17-9-14-25-13-8-16-29(32(25)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b27-18+/t31-,33-,36-,37-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.28E+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