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Compile Data Set for Download or QSAR

Found 60 hits from Atatürk University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase


(Homo sapiens (human))
BDBM246590
PNG
(N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methy...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cccc(OC)c1OC
Show InChI InChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3
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3.68E+3 -7.41n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246590
PNG
(N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methy...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cccc(OC)c1OC
Show InChI InChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3
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9.23E+3 -6.86n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246584
PNG
(bis(3,4-dimethoxyphenyl)methanamine hydrochloride ...)
Show SMILES COc1ccc(cc1OC)C(N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10,17H,18H2,1-4H3
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1.37E+4 -6.63n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246584
PNG
(bis(3,4-dimethoxyphenyl)methanamine hydrochloride ...)
Show SMILES COc1ccc(cc1OC)C(N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10,17H,18H2,1-4H3
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1.56E+4 -6.55n/an/an/an/an/a7.425



Atatürk University



Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246588
PNG
(N-(bis(3,4-dimethoxyphenyl)methyl)methanesulfonami...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H23NO6S/c1-22-14-8-6-12(10-16(14)24-3)18(19-26(5,20)21)13-7-9-15(23-2)17(11-13)25-4/h6-11,18-19H,1-5H3
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1.81E+4 -6.46n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246589
PNG
(N-((4,5-dimethoxy-2-methylphenyl)(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C19H25NO6S/c1-12-9-16(24-3)18(26-5)11-14(12)19(20-27(6,21)22)13-7-8-15(23-2)17(10-13)25-4/h7-11,19-20H,1-6H3
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1.90E+4 -6.44n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246588
PNG
(N-(bis(3,4-dimethoxyphenyl)methyl)methanesulfonami...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H23NO6S/c1-22-14-8-6-12(10-16(14)24-3)18(19-26(5,20)21)13-7-9-15(23-2)17(11-13)25-4/h6-11,18-19H,1-5H3
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2.56E+4 -6.26n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246585
PNG
((2,4-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(C(N)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-12-6-7-13(15(10-12)21-3)17(18)11-5-8-14(20-2)16(9-11)22-4/h5-10,17H,18H2,1-4H3
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3.43E+4 -6.09n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246585
PNG
((2,4-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(C(N)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-12-6-7-13(15(10-12)21-3)17(18)11-5-8-14(20-2)16(9-11)22-4/h5-10,17H,18H2,1-4H3
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3.60E+4 -6.06n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246586
PNG
((4,5-Dimethoxy-2-methylphenyl)(3,4-dimethoxyphenyl...)
Show SMILES COc1ccc(cc1OC)C(N)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C18H23NO4/c1-11-8-15(21-3)17(23-5)10-13(11)18(19)12-6-7-14(20-2)16(9-12)22-4/h6-10,18H,19H2,1-5H3
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3.95E+4 -6.00n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246518
PNG
(N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methane...)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(C)(=O)=O
Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-10(13-18(3,14)15)5-9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3
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4.60E+4n/a 2.66E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246586
PNG
((4,5-Dimethoxy-2-methylphenyl)(3,4-dimethoxyphenyl...)
Show SMILES COc1ccc(cc1OC)C(N)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C18H23NO4/c1-11-8-15(21-3)17(23-5)10-13(11)18(19)12-6-7-14(20-2)16(9-12)22-4/h6-10,18H,19H2,1-5H3
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4.76E+4 -5.89n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246589
PNG
(N-((4,5-dimethoxy-2-methylphenyl)(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C19H25NO6S/c1-12-9-16(24-3)18(26-5)11-14(12)19(20-27(6,21)22)13-7-8-15(23-2)17(10-13)25-4/h7-11,19-20H,1-6H3
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4.86E+4 -5.88n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246514
PNG
(N-(5,6-dimethoxyindane-1-yl)methanesulfonamide (28...)
Show SMILES COc1cc2CCC(NS(C)(=O)=O)c2cc1OC
Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-5-10(13-18(3,14)15)9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3
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5.20E+4n/a 4.87E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246587
PNG
((2,3-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(cc1OC)C(N)c1cccc(OC)c1OC
Show InChI InChI=1S/C17H21NO4/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10,16H,18H2,1-4H3
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6.69E+4 -5.69n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246587
PNG
((2,3-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(cc1OC)C(N)c1cccc(OC)c1OC
Show InChI InChI=1S/C17H21NO4/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10,16H,18H2,1-4H3
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7.33E+4 -5.64n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246517
PNG
(N-(1,2,3,4-tetrahydronaphthalene -2-yl)methanesulf...)
Show SMILES CS(=O)(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C11H15NO2S/c1-15(13,14)12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11-12H,6-8H2,1H3
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9.40E+4n/a 3.38E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246519
PNG
(N-(Indane-2-yl)methanesulfonamide (33))
Show SMILES CS(=O)(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)11-10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7H2,1H3
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1.04E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246516
PNG
(N-(5-metoksi-1,2,3,4-tetrahydronaphthalene-1-yl)me...)
Show SMILES COc1cccc2C(CCCc12)NS(C)(=O)=O
Show InChI InChI=1S/C12H17NO3S/c1-16-12-8-4-5-9-10(12)6-3-7-11(9)13-17(2,14)15/h4-5,8,11,13H,3,6-7H2,1-2H3
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1.12E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246519
PNG
(N-(Indane-2-yl)methanesulfonamide (33))
Show SMILES CS(=O)(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)11-10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7H2,1H3
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1.70E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246515
PNG
(N-(Indane-1-yl)methanesulfonamide (29))
Show SMILES CS(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3
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1.73E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246516
PNG
(N-(5-metoksi-1,2,3,4-tetrahydronaphthalene-1-yl)me...)
Show SMILES COc1cccc2C(CCCc12)NS(C)(=O)=O
Show InChI InChI=1S/C12H17NO3S/c1-16-12-8-4-5-9-10(12)6-3-7-11(9)13-17(2,14)15/h4-5,8,11,13H,3,6-7H2,1-2H3
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1.85E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM241973
PNG
(Oxytetracycline hydrochloride)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
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2.00E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...


J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246515
PNG
(N-(Indane-1-yl)methanesulfonamide (29))
Show SMILES CS(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3
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2.11E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246514
PNG
(N-(5,6-dimethoxyindane-1-yl)methanesulfonamide (28...)
Show SMILES COc1cc2CCC(NS(C)(=O)=O)c2cc1OC
Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-5-10(13-18(3,14)15)9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3
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2.15E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM246517
PNG
(N-(1,2,3,4-tetrahydronaphthalene -2-yl)methanesulf...)
Show SMILES CS(=O)(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C11H15NO2S/c1-15(13,14)12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11-12H,6-8H2,1H3
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2.28E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246518
PNG
(N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methane...)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(C)(=O)=O
Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-10(13-18(3,14)15)5-9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3
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3.72E+5n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM239168
PNG
(Carbonic anhydrase isoenzymes inhibitor, 14)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H8Br2O6/c14-6-3-9(17)8(16)2-4(6)10(18)5-1-7(15)12(20)13(21)11(5)19/h1-3,16-17,19-21H
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1.19E+6n/a 3.22E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM239170
PNG
(Carbonic anhydrase isoenzymes inhibitor, 16)
Show SMILES Oc1cc(Br)c(Cc2cc(Br)c(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H10Br2O5/c14-7-4-10(17)9(16)3-5(7)1-6-2-8(15)12(19)13(20)11(6)18/h2-4,16-20H,1H2
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2.59E+6n/a 4.28E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM239167
PNG
(Carbonic anhydrase isoenzymes inhibitor, 13)
Show SMILES Oc1ccc(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H9BrO6/c14-7-4-6(11(18)13(20)12(7)19)10(17)5-1-2-8(15)9(16)3-5/h1-4,15-16,18-20H
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3.25E+6n/a 1.85E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM241974
PNG
(Netilmycin sulfate)
Show SMILES CCN[C@@H]1C[C@H](N)[C@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
Show InChI InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18-,19-,20-,21+/m1/s1
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3.73E+6n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...


J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM239167
PNG
(Carbonic anhydrase isoenzymes inhibitor, 13)
Show SMILES Oc1ccc(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H9BrO6/c14-7-4-6(11(18)13(20)12(7)19)10(17)5-1-2-8(15)9(16)3-5/h1-4,15-16,18-20H
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6.77E+6n/a 6.92E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM239169
PNG
(Carbonic anhydrase isoenzymes inhibitor, 15)
Show SMILES Oc1ccc(Cc2ccc(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H12O5/c14-9-3-1-7(6-11(9)16)5-8-2-4-10(15)13(18)12(8)17/h1-4,6,14-18H,5H2
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8.36E+6n/a 5.43E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50335522
PNG
((2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3...)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
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Article
PubMed
1.83E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...


J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM239166
PNG
(Carbonic anhydrase isoenzymes inhibitor, 5)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C13H10O6/c14-8-3-1-6(5-10(8)16)11(17)7-2-4-9(15)13(19)12(7)18/h1-5,14-16,18-19H
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2.30E+7n/a 1.42E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM239168
PNG
(Carbonic anhydrase isoenzymes inhibitor, 14)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H8Br2O6/c14-6-3-9(17)8(16)2-4(6)10(18)5-1-7(15)12(20)13(21)11(5)19/h1-3,16-17,19-21H
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2.86E+7n/a 2.45E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM239166
PNG
(Carbonic anhydrase isoenzymes inhibitor, 5)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C13H10O6/c14-8-3-1-6(5-10(8)16)11(17)7-2-4-9(15)13(19)12(7)18/h1-5,14-16,18-19H
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3.25E+7n/a 2.78E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM241975
PNG
(Clindamycin phosphate)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1
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3.58E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...


J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM239169
PNG
(Carbonic anhydrase isoenzymes inhibitor, 15)
Show SMILES Oc1ccc(Cc2ccc(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H12O5/c14-9-3-1-7(6-11(9)16)5-8-2-4-10(15)13(18)12(8)17/h1-4,6,14-18H,5H2
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4.25E+7n/a 7.94E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM241976
PNG
(Streptomycin sulfate)
Show SMILES CN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]2N=C(N)N)O[C@H](C)[C@@]1(O)C=O
Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m1/s1
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5.63E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...


J Enzyme Inhib Med Chem 28: 758-64 (2013)


Article DOI: 10.3109/14756366.2012.681653
BindingDB Entry DOI: 10.7270/Q25B01CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM239170
PNG
(Carbonic anhydrase isoenzymes inhibitor, 16)
Show SMILES Oc1cc(Br)c(Cc2cc(Br)c(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H10Br2O5/c14-7-4-10(17)9(16)3-5(7)1-6-2-8(15)12(19)13(20)11(6)18/h2-4,16-20H,1H2
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1.18E+8n/a 6.36E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235679
PNG
((2-Bromo-3,4-dihydroxyphenyl)(2,3-dibromo-4,5-dihy...)
Show SMILES Oc1ccc(C(=O)c2cc(O)c(O)c(Br)c2Br)c(Br)c1O
Show InChI InChI=1S/C13H7Br3O5/c14-8-5(3-7(18)13(21)10(8)16)11(19)4-1-2-6(17)12(20)9(4)15/h1-3,17-18,20-21H
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n/an/a 700n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235681
PNG
((2-Bromo-4,5-dihydroxyphenyl)(2,5-dibromo-3,4-dihy...)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1cc(Br)c(O)c(O)c1Br
Show InChI InChI=1S/C13H7Br3O5/c14-6-3-9(18)8(17)2-4(6)11(19)5-1-7(15)12(20)13(21)10(5)16/h1-3,17-18,20-21H
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n/an/a 1.36E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235678
PNG
((2-Bromo-3,4-dihydroxyphenyl)(2-bromo-4,5-dihydrox...)
Show SMILES Oc1ccc(C(=O)c2cc(O)c(O)cc2Br)c(Br)c1O
Show InChI InChI=1S/C13H8Br2O5/c14-7-4-10(18)9(17)3-6(7)12(19)5-1-2-8(16)13(20)11(5)15/h1-4,16-18,20H
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n/an/a 1.65E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235680
PNG
((2-Bromo-4,5-dihydroxyphenyl)(2,6-dibromo-3,4-dime...)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1c(Br)cc(O)c(O)c1Br
Show InChI InChI=1S/C13H7Br3O5/c14-5-2-8(18)7(17)1-4(5)12(20)10-6(15)3-9(19)13(21)11(10)16/h1-3,17-19,21H
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n/an/a 9.23E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235674
PNG
((2-Bromo-3,4-dimethoxyphenyl)(2-bromo-4,5-dimethox...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1ccc(OC)c(OC)c1Br
Show InChI InChI=1S/C17H16Br2O5/c1-21-12-6-5-9(15(19)17(12)24-4)16(20)10-7-13(22-2)14(23-3)8-11(10)18/h5-8H,1-4H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235672
PNG
((2-bromo-3,4-dihydroxyphenyl)(3,4-dihydroxyphenyl)...)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1Br
Show InChI InChI=1S/C13H9BrO5/c14-11-7(2-4-9(16)13(11)19)12(18)6-1-3-8(15)10(17)5-6/h1-5,15-17,19H
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n/an/a 2.64E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50363494
PNG
(5,5'-methylenebis(3,4,6-tribromo-benzene-1,2-d...)
Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br
Show InChI InChI=1S/C13H6Br6O4/c14-4-2(6(16)10(20)12(22)8(4)18)1-3-5(15)9(19)13(23)11(21)7(3)17/h20-23H,1H2
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Article
PubMed
n/an/a 3.83E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235675
PNG
((2-Bromo-3,4-dimethoxyphenyl)(2,3-dibromo-4,5-dime...)
Show SMILES COc1ccc(C(=O)c2cc(OC)c(OC)c(Br)c2Br)c(Br)c1OC
Show InChI InChI=1S/C17H15Br3O5/c1-22-10-6-5-8(13(19)16(10)24-3)15(21)9-7-11(23-2)17(25-4)14(20)12(9)18/h5-7H,1-4H3
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n/an/a 4.95E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM235677
PNG
((2-Bromo-4,5-dimethoxyphenyl)(2,5-dibromo-3,4-dime...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1cc(Br)c(OC)c(OC)c1Br
Show InChI InChI=1S/C17H15Br3O5/c1-22-12-6-8(10(18)7-13(12)23-2)15(21)9-5-11(19)16(24-3)17(25-4)14(9)20/h5-7H,1-4H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
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