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PubMed code 22994801

Compile data set for download or QSAR
Found 7 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))
BDBM243044
PNG
((2-Bromo-4,5-dimethoxyphenyl)(2,3-dibromo-5,6-dime...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1c(Br)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C17H15Br3O5/c1-22-11-5-8(9(18)6-12(11)23-2)16(21)14-15(20)10(19)7-13(24-3)17(14)25-4/h5-7H,1-4H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.23E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same pr...


J Enzyme Inhib Med Chem 28: 1073-9 (2013)


Article DOI: 10.3109/14756366.2012.715287
BindingDB Entry DOI: 10.7270/Q29W0DDQ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM243045
PNG
((3-Bromo-4,5-dimethoxyphenyl)(2,3-dibromo-5,6-dime...)
Show SMILES COc1cc(Br)c(Br)c(C(=O)c2cc(Br)c(OC)c(OC)c2)c1OC
Show InChI InChI=1S/C17H15Br3O5/c1-22-11-6-8(5-10(19)16(11)24-3)15(21)13-14(20)9(18)7-12(23-2)17(13)25-4/h5-7H,1-4H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same pr...


J Enzyme Inhib Med Chem 28: 1073-9 (2013)


Article DOI: 10.3109/14756366.2012.715287
BindingDB Entry DOI: 10.7270/Q29W0DDQ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM243043
PNG
((2,3-dibromo-5,6-dimethoxyphenyl)(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)C(=O)c1c(Br)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C17H16Br2O5/c1-21-11-6-5-9(7-12(11)22-2)16(20)14-15(19)10(18)8-13(23-3)17(14)24-4/h5-8H,1-4H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.74E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same pr...


J Enzyme Inhib Med Chem 28: 1073-9 (2013)


Article DOI: 10.3109/14756366.2012.715287
BindingDB Entry DOI: 10.7270/Q29W0DDQ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM243048
PNG
((3-Bromo-4,5-dihydroxyphenyl)(2,3-dibromo-5,6-dihy...)
Show SMILES Oc1cc(Br)c(Br)c(C(=O)c2cc(O)c(O)c(Br)c2)c1O
Show InChI InChI=1S/C13H7Br3O5/c14-5-3-8(18)13(21)9(10(5)16)11(19)4-1-6(15)12(20)7(17)2-4/h1-3,17-18,20-21H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.01E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same pr...


J Enzyme Inhib Med Chem 28: 1073-9 (2013)


Article DOI: 10.3109/14756366.2012.715287
BindingDB Entry DOI: 10.7270/Q29W0DDQ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM243046
PNG
((2,3-Dibromo-5,6-dihydroxyphenyl)(3,4-dihydroxyphe...)
Show SMILES Oc1ccc(cc1O)C(=O)c1c(O)c(O)cc(Br)c1Br
Show InChI InChI=1S/C13H8Br2O5/c14-6-4-9(18)13(20)10(11(6)15)12(19)5-1-2-7(16)8(17)3-5/h1-4,16-18,20H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.32E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same pr...


J Enzyme Inhib Med Chem 28: 1073-9 (2013)


Article DOI: 10.3109/14756366.2012.715287
BindingDB Entry DOI: 10.7270/Q29W0DDQ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM243047
PNG
((2-Bromo-4,5-dihydroxyphenyl)(2,3-dibromo-5,6-dihy...)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1c(O)c(O)cc(Br)c1Br
Show InChI InChI=1S/C13H7Br3O5/c14-5-2-8(18)7(17)1-4(5)12(20)10-11(16)6(15)3-9(19)13(10)21/h1-3,17-19,21H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+6n/an/an/an/an/an/a



Atatürk University



Assay Description
The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same pr...


J Enzyme Inhib Med Chem 28: 1073-9 (2013)


Article DOI: 10.3109/14756366.2012.715287
BindingDB Entry DOI: 10.7270/Q29W0DDQ
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM243042
PNG
((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methanon...)
Show SMILES COc1ccc(cc1OC)C(=O)c1cccc(OC)c1OC
Show InChI InChI=1S/C17H18O5/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10H,1-4H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+6n/an/an/an/an/an/a



Atatürk University



Assay Description
The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same pr...


J Enzyme Inhib Med Chem 28: 1073-9 (2013)


Article DOI: 10.3109/14756366.2012.715287
BindingDB Entry DOI: 10.7270/Q29W0DDQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%