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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50043621   
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))		BDBM50443692
PNG
(CHEMBL3093837)
Show SMILES CCN(CC)CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H40N2O3/c1-5-31(6-2)19-11-9-7-8-10-12-20-33-25-17-18-26-27(32)22-28(34-29(26)21-25)23-13-15-24(16-14-23)30(3)4/h13-18,21-22H,5-12,19-20H2,1-4H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 386n/an/an/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Linewea...

Bioorg Med Chem 21: 7275-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.061
BindingDB Entry DOI: 10.7270/Q25B03ZD
More data for this
Ligand-Target Pair