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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50211251'   
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))		BDBM50211251
PNG
(3-diethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrace...)
Show SMILES CCN(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C23H23N3O2/c1-3-26(4-2)13-11-20(27)25-16-8-9-17-19(14-16)23(28)18-7-5-6-15-10-12-24-22(17)21(15)18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,27)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11.6n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair