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PubMed code 23394864

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


(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 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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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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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
* indicates data uncertainty>20%