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PubMed code 19170619

Compile data set for download or QSAR
Found 14 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 2


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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<1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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<1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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1.10n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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2n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(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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3n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
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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4.90n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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7n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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8.80n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM92939
PNG
(Methazolamide, MZM)
Show SMILES CC1N=C(S\C1=N\C(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O3S2/c1-3-5(9-4(2)10)13-6(8-3)14(7,11)12/h3H,1-2H3,(H2,7,11,12)/b9-5+
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9n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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9n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
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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10.1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM92939
PNG
(Methazolamide, MZM)
Show SMILES CC1N=C(S\C1=N\C(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O3S2/c1-3-5(9-4(2)10)13-6(8-3)14(7,11)12/h3H,1-2H3,(H2,7,11,12)/b9-5+
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11.4n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM92939
PNG
(Methazolamide, MZM)
Show SMILES CC1N=C(S\C1=N\C(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O3S2/c1-3-5(9-4(2)10)13-6(8-3)14(7,11)12/h3H,1-2H3,(H2,7,11,12)/b9-5+
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11.8n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%