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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50396125'   
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))		BDBM50396125
PNG
(CHEMBL2171323)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-11-23-43-37(39)40)17-19-32(38)34-20-8-2-3-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method

J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair