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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50093245'   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50093245
PNG
(CHEMBL3586581)
Show SMILES Cl.CCN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3.ClH/c1-4-26(18-21-11-7-5-8-12-21)15-9-6-10-16-28-22-13-14-23-19(2)20(3)25(27)29-24(23)17-22;/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3;1H
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair