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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxylesterase 2' and Monomerid = 22728   
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))
BDBM22728
PNG
(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Show SMILES OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.22E+3n/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
Carboxylesterase 2


(Homo sapiens (Human))
BDBM22728
PNG
(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Show SMILES OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.67E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase


Bioorg Med Chem 15: 3801-17 (2007)


Article DOI: 10.1016/j.bmc.2007.03.012
BindingDB Entry DOI: 10.7270/Q29G5MGV
More data for this
Ligand-Target Pair