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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50435948'   
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))		BDBM50435948
PNG
(CHEMBL2391477)
Show SMILES COc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C35H42N4O5/c1-42-31-23-34(41)44-32-22-25(14-15-28(31)32)43-21-9-3-2-8-16-38-17-19-39(20-18-38)24-33(40)37-35-26-10-4-6-12-29(26)36-30-13-7-5-11-27(30)35/h4,6,10,12,14-15,22-23H,2-3,5,7-9,11,13,16-21,24H2,1H3,(H,36,37,40)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair