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PubMed code 12729627

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50127646
PNG
(CHEMBL42577 | Phosphoric acid 4-amino-phenyl ester...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(N)cc1
Show InChI InChI=1S/C10H16NO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.28E+6n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
Inhibitory activity against human serum paraoxonase (PON1)


Bioorg Med Chem Lett 13: 1623-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00290-7
BindingDB Entry DOI: 10.7270/Q23B60P7
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM14675
PNG
(CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...)
Show SMILES OP(O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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UniProtKB/SwissProt

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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Similars

Article
PubMed
n/an/a 3.25E+6n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
Inhibitory activity against human serum paraoxonase (PON1)


Bioorg Med Chem Lett 13: 1623-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00290-7
BindingDB Entry DOI: 10.7270/Q23B60P7
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50127647
PNG
(CHEMBL296745 | Phosphoric acid diethyl ester pheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccccc1
Show InChI InChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.27E+6n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
Inhibitory activity against human serum paraoxonase (PON1)


Bioorg Med Chem Lett 13: 1623-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00290-7
BindingDB Entry DOI: 10.7270/Q23B60P7
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM24514
PNG
(4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...)
Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.85E+7n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
Inhibitory activity against human serum paraoxonase (PON1)


Bioorg Med Chem Lett 13: 1623-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00290-7
BindingDB Entry DOI: 10.7270/Q23B60P7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%