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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylesterase 2' and Ligand = 'BDBM50171923'   
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
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50171923
PNG
(1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...)
Show SMILES OC(C(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA


J Med Chem 48: 5543-50 (2005)


Article DOI: 10.1021/jm0504196
BindingDB Entry DOI: 10.7270/Q2FB52G3
More data for this
Ligand-Target Pair