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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50169858'   
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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50169858
PNG
(5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-i...)
Show SMILES COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-15(4-6-17)14-23-7-9-27-10-8-23/h3-6,11,13,21H,7-10,12,14H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.84E+5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against butyrylcholinesterase was determined using rat serum homogenate


Bioorg Med Chem Lett 15: 3834-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.132
BindingDB Entry DOI: 10.7270/Q27H1KBV
More data for this
Ligand-Target Pair