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PubMed code 23356427

Compile data set for download or QSAR
Found 16 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
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246577
PNG
(4-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methylam...)
Show SMILES CC1(C)CC(=O)C(=CNc2ccc(cc2)S(N)(=O)=O)C(=O)C1
Show InChI InChI=1S/C15H18N2O4S/c1-15(2)7-13(18)12(14(19)8-15)9-17-10-3-5-11(6-4-10)22(16,20)21/h3-6,9,17H,7-8H2,1-2H3,(H2,16,20,21)
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n/an/a 2.12E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246580
PNG
(4-((1,3-Dimethyl-2,4,6-trioxo-tetrahydropyrimidin-...)
Show SMILES CN1C(=O)N(C)C(=O)C(=CNc2ccc(cc2)S(N)(=O)=O)C1=O
Show InChI InChI=1S/C13H14N4O5S/c1-16-11(18)10(12(19)17(2)13(16)20)7-15-8-3-5-9(6-4-8)23(14,21)22/h3-7,15H,1-2H3,(H2,14,21,22)
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n/an/a 2.52E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246582
PNG
(4-((1,3-Dioxo-1H-inden-2(3H)-ylidene)methylamino)b...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-9-14-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H,(H2,17,21,22)
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n/an/a 3.19E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246582
PNG
(4-((1,3-Dioxo-1H-inden-2(3H)-ylidene)methylamino)b...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-9-14-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H,(H2,17,21,22)
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n/an/a 3.36E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246583
PNG
(4-((2,5-Dioxocyclopentylidene)methylamino)benzenes...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)9-3-1-8(2-4-9)14-7-10-11(15)5-6-12(10)16/h1-4,7,14H,5-6H2,(H2,13,17,18)
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n/an/a 3.36E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246576
PNG
(4-((2,6-Dioxocyclohexylidene)methylamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)CCCC2=O)cc1
Show InChI InChI=1S/C13H14N2O4S/c14-20(18,19)10-6-4-9(5-7-10)15-8-11-12(16)2-1-3-13(11)17/h4-8,15H,1-3H2,(H2,14,18,19)
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n/an/a 4.25E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246583
PNG
(4-((2,5-Dioxocyclopentylidene)methylamino)benzenes...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)9-3-1-8(2-4-9)14-7-10-11(15)5-6-12(10)16/h1-4,7,14H,5-6H2,(H2,13,17,18)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246576
PNG
(4-((2,6-Dioxocyclohexylidene)methylamino)benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)CCCC2=O)cc1
Show InChI InChI=1S/C13H14N2O4S/c14-20(18,19)10-6-4-9(5-7-10)15-8-11-12(16)2-1-3-13(11)17/h4-8,15H,1-3H2,(H2,14,18,19)
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n/an/a 4.93E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246580
PNG
(4-((1,3-Dimethyl-2,4,6-trioxo-tetrahydropyrimidin-...)
Show SMILES CN1C(=O)N(C)C(=O)C(=CNc2ccc(cc2)S(N)(=O)=O)C1=O
Show InChI InChI=1S/C13H14N4O5S/c1-16-11(18)10(12(19)17(2)13(16)20)7-15-8-3-5-9(6-4-8)23(14,21)22/h3-7,15H,1-2H3,(H2,14,21,22)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246577
PNG
(4-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methylam...)
Show SMILES CC1(C)CC(=O)C(=CNc2ccc(cc2)S(N)(=O)=O)C(=O)C1
Show InChI InChI=1S/C15H18N2O4S/c1-15(2)7-13(18)12(14(19)8-15)9-17-10-3-5-11(6-4-10)22(16,20)21/h3-6,9,17H,7-8H2,1-2H3,(H2,16,20,21)
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n/an/a 6.41E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246578
PNG
(4-((2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)me...)
Show SMILES CC1(C)OC(=O)C(=CNc2ccc(cc2)S(N)(=O)=O)C(=O)O1
Show InChI InChI=1S/C13H14N2O6S/c1-13(2)20-11(16)10(12(17)21-13)7-15-8-3-5-9(6-4-8)22(14,18)19/h3-7,15H,1-2H3,(H2,14,18,19)
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n/an/a 6.56E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246579
PNG
(4-((4-(Furan-2-yl)-2,6-dioxocyclohexylidene)methyl...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)CC(CC2=O)c2ccco2)cc1
Show InChI InChI=1S/C17H16N2O5S/c18-25(22,23)13-5-3-12(4-6-13)19-10-14-15(20)8-11(9-16(14)21)17-2-1-7-24-17/h1-7,10-11,19H,8-9H2,(H2,18,22,23)/b14-10-
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n/an/a 7.21E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246579
PNG
(4-((4-(Furan-2-yl)-2,6-dioxocyclohexylidene)methyl...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)CC(CC2=O)c2ccco2)cc1
Show InChI InChI=1S/C17H16N2O5S/c18-25(22,23)13-5-3-12(4-6-13)19-10-14-15(20)8-11(9-16(14)21)17-2-1-7-24-17/h1-7,10-11,19H,8-9H2,(H2,18,22,23)/b14-10-
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n/an/a 8.61E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246581
PNG
(4-((2,4,6-Trioxo-tetrahydropyrimidin-5(6H)-ylidene...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C11H10N4O5S/c12-21(19,20)7-3-1-6(2-4-7)13-5-8-9(16)14-11(18)15-10(8)17/h1-5,13H,(H2,12,19,20)(H2,14,15,16,17,18)
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n/an/a 9.92E+3n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246581
PNG
(4-((2,4,6-Trioxo-tetrahydropyrimidin-5(6H)-ylidene...)
Show SMILES NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C11H10N4O5S/c12-21(19,20)7-3-1-6(2-4-7)13-5-8-9(16)14-11(18)15-10(8)17/h1-5,13H,(H2,12,19,20)(H2,14,15,16,17,18)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246578
PNG
(4-((2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)me...)
Show SMILES CC1(C)OC(=O)C(=CNc2ccc(cc2)S(N)(=O)=O)C(=O)O1
Show InChI InChI=1S/C13H14N2O6S/c1-13(2)20-11(16)10(12(17)21-13)7-15-8-3-5-9(6-4-8)22(14,18)19/h3-7,15H,1-2H3,(H2,14,18,19)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for...


J Enzyme Inhib Med Chem 29: 132-6 (2014)


Article DOI: 10.3109/14756366.2012.757603
BindingDB Entry DOI: 10.7270/Q2N29VWM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%