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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50039074   
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 2


(Homo sapiens (Human))
BDBM50308986
PNG
(2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...)
Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1
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n/an/a 220n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes CA2 by Lineweaver-Burke analysis


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50308986
PNG
(2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...)
Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1
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n/an/a 250n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of CA1 from human erythrocytes by Lineweaver-Burke analysis


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50308986
PNG
(2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...)
Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1
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n/an/a 260n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of hydratase-activity of CA1 from human erythrocytes by CO2-hydration method


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50308986
PNG
(2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...)
Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1
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n/an/a 290n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of esterase-activity of human erythrocytes CA2 by spectrophotometry


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50308986
PNG
(2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...)
Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1
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n/an/a 300n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of hydratase-activity of human erythrocytes CA2 by CO2-hydration method


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50308986
PNG
(2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...)
Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1
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n/an/a 320n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of esterase-activity of CA1 from human erythrocytes by spectrophotometry


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/a 380n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of hydratase-activity of human erythrocytes CA2 by CO2-hydration method


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/a 430n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of hydratase-activity of CA1 from human erythrocytes by CO2-hydration method


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
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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n/an/a 2.80E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of hydratase-activity of human erythrocytes CA2 by CO2-hydration method


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of esterase-activity of CA1 from human erythrocytes by spectrophotometry


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
Carbonic anhydrase 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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n/an/a 3.60E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of hydratase-activity of CA1 from human erythrocytes by CO2-hydration method


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 3.80E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes CA2 by Lineweaver-Burke analysis


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 4.50E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of esterase-activity of human erythrocytes CA2 by spectrophotometry


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 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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n/an/a 5.20E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of CA1 from human erythrocytes by Lineweaver-Burke analysis


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 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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n/an/a 6.10E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of esterase-activity of CA1 from human erythrocytes by spectrophotometry


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of CA1 from human erythrocytes by Lineweaver-Burke analysis


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of esterase-activity of human erythrocytes CA2 by spectrophotometry


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes CA2 by Lineweaver-Burke analysis


Bioorg Med Chem 18: 930-8 (2010)


Article DOI: 10.1016/j.bmc.2009.11.031
BindingDB Entry DOI: 10.7270/Q2FQ9XK3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)