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PubMed code 21040495

Compile data set for download or QSAR
Found 6 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))
BDBM50316126
PNG
(Bleph-10 | Bleph-30 | Blephamide | CHEMBL455 | Cet...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
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MCE
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Article
PubMed
8.60E+4n/a 1.80E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...


Chem Biol Drug Des 76: 552-8 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01036.x
BindingDB Entry DOI: 10.7270/Q2Q52N3T
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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Article
PubMed
3.40E+5n/a 1.90E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...


Chem Biol Drug Des 76: 552-8 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01036.x
BindingDB Entry DOI: 10.7270/Q2Q52N3T
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM82185
PNG
(Sulfosalazine, 3)
Show SMILES OC(=O)c1ccc(cc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-11-13(6-9-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
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Article
PubMed
5.70E+5n/a 2.60E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...


Chem Biol Drug Des 76: 552-8 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01036.x
BindingDB Entry DOI: 10.7270/Q2Q52N3T
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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Article
PubMed
7.02E+5n/a 3.60E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...


Chem Biol Drug Des 76: 552-8 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01036.x
BindingDB Entry DOI: 10.7270/Q2Q52N3T
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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Article
PubMed
7.43E+5n/a 8.00E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...


Chem Biol Drug Des 76: 552-8 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01036.x
BindingDB Entry DOI: 10.7270/Q2Q52N3T
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
KEGG

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CHEMBL
MCE
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UniChem

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Article
PubMed
2.00E+6n/a 1.24E+6n/an/an/an/an/an/a



Atatürk University



Assay Description
The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...


Chem Biol Drug Des 76: 552-8 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01036.x
BindingDB Entry DOI: 10.7270/Q2Q52N3T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%