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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serum paraoxonase/arylesterase 1' and Ligand = 'BDBM50139137'   
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
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50139137
PNG
(CHEMBL3759162)
Show SMILES [Cl-].CCCCn1cc[n+](Cc2cc(=O)oc3cc(C)cc(C)c23)c1
Show InChI InChI=1S/C19H23N2O2.ClH/c1-4-5-6-20-7-8-21(13-20)12-16-11-18(22)23-17-10-14(2)9-15(3)19(16)17;/h7-11,13H,4-6,12H2,1-3H3;1H/q+1;/p-1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.39E+3n/an/an/an/an/an/an/an/a



In£n£ University

Curated by ChEMBL


Assay Description
Competitive inhibition of human serum PON1 using paraoxon as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 1392-401 (2016)


Article DOI: 10.1016/j.bmc.2016.02.012
BindingDB Entry DOI: 10.7270/Q2FT8NWG
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50139137
PNG
(CHEMBL3759162)
Show SMILES [Cl-].CCCCn1cc[n+](Cc2cc(=O)oc3cc(C)cc(C)c23)c1
Show InChI InChI=1S/C19H23N2O2.ClH/c1-4-5-6-20-7-8-21(13-20)12-16-11-18(22)23-17-10-14(2)9-15(3)19(16)17;/h7-11,13H,4-6,12H2,1-3H3;1H/q+1;/p-1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.37E+3n/an/an/an/an/an/a



In£n£ University

Curated by ChEMBL


Assay Description
Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 1392-401 (2016)


Article DOI: 10.1016/j.bmc.2016.02.012
BindingDB Entry DOI: 10.7270/Q2FT8NWG
More data for this
Ligand-Target Pair