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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'akbaba' and Initial = 'y'   
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


(Homo sapiens (human))
BDBM50429927
PNG
(CHEMBL2333818)
Show SMILES NS(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-6-5-7-3-1-2-4-8(7)9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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450n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429927
PNG
(CHEMBL2333818)
Show SMILES NS(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-6-5-7-3-1-2-4-8(7)9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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1.07E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429929
PNG
(CHEMBL2333822)
Show SMILES NS(=O)(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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1.28E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429929
PNG
(CHEMBL2333822)
Show SMILES NS(=O)(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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1.54E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429926
PNG
(CHEMBL2333819)
Show SMILES COc1cccc2C(CCCc12)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-16-11-7-3-4-8-9(11)5-2-6-10(8)13-17(12,14)15/h3-4,7,10,13H,2,5-6H2,1H3,(H2,12,14,15)
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3.09E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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3.70E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429926
PNG
(CHEMBL2333819)
Show SMILES COc1cccc2C(CCCc12)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-16-11-7-3-4-8-9(11)5-2-6-10(8)13-17(12,14)15/h3-4,7,10,13H,2,5-6H2,1H3,(H2,12,14,15)
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6.72E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429931
PNG
(CHEMBL2333820)
Show SMILES NS(=O)(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H14N2O2S/c11-15(13,14)12-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10,12H,5-7H2,(H2,11,13,14)
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6.75E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429931
PNG
(CHEMBL2333820)
Show SMILES NS(=O)(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H14N2O2S/c11-15(13,14)12-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10,12H,5-7H2,(H2,11,13,14)
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8.30E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429928
PNG
(CHEMBL2333817)
Show SMILES COc1cc2CCC(NS(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-4-9(13-18(12,14)15)8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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8.86E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429928
PNG
(CHEMBL2333817)
Show SMILES COc1cc2CCC(NS(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-4-9(13-18(12,14)15)8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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9.31E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429930
PNG
(CHEMBL2333821)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-9(13-18(12,14)15)4-8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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1.02E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429930
PNG
(CHEMBL2333821)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-9(13-18(12,14)15)4-8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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1.34E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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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3.62E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


(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 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
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 2


(Homo sapiens (human))
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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PubMed
3.90E+5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM26995
PNG
(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
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PubMed
1.13E+6n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
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
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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
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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
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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
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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
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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
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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
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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