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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50396111'   
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))		BDBM50396111
PNG
(CHEMBL2171311)
Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C29H34N4O6/c1-37-27-20-21(12-14-26(27)38-18-6-7-19-39-33(35)36)13-15-28(34)30-16-17-31-29-22-8-2-4-10-24(22)32-25-11-5-3-9-23(25)29/h2,4,8,10,12-15,20H,3,5-7,9,11,16-19H2,1H3,(H,30,34)(H,31,32)/b15-13+
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.60n/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