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PubMed code 21985426

Compile data set for download or QSAR
Found 27 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))
BDBM237231
PNG
(hCA inhibitor, 1)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
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228 -37.9n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM237234
PNG
(hCA inhibitor, 5)
Show SMILES CCOC1Oc2c(CC)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-3-13-6-5-7-16-18(23)17(20(26-4-2)27-19(13)16)12-22-14-8-10-15(11-9-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)/b17-12+
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286 -37.3n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM60962
PNG
(hCA inhibitor, 2)
Show SMILES CCOC1Oc2c(F)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+
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437 -36.3n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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612 -35.5n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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PubMed
628 -35.4n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM237231
PNG
(hCA inhibitor, 1)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
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943 -34.4n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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1.01E+3 -34.2n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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1.10E+3 -34.0n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM237232
PNG
(hCA inhibitor, 3)
Show SMILES CCOC1Oc2c(Br)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+
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1.13E+3 -33.9n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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1.21E+3 -33.8n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM237234
PNG
(hCA inhibitor, 5)
Show SMILES CCOC1Oc2c(CC)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-3-13-6-5-7-16-18(23)17(20(26-4-2)27-19(13)16)12-22-14-8-10-15(11-9-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)/b17-12+
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1.25E+3 -33.7n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM60962
PNG
(hCA inhibitor, 2)
Show SMILES CCOC1Oc2c(F)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+
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1.53E+3 -33.2n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM237233
PNG
(hCA inhibitor, 4)
Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-3-5-12(6-4-11)28(21,24)25)16(23)13-7-10(19)8-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)/b14-9+
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1.86E+3 -32.7n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM237232
PNG
(hCA inhibitor, 3)
Show SMILES CCOC1Oc2c(Br)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+
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2.24E+3 -32.3n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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4.11E+3 -30.7n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM237233
PNG
(hCA inhibitor, 4)
Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-3-5-12(6-4-11)28(21,24)25)16(23)13-7-10(19)8-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)/b14-9+
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4.28E+3 -30.6n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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8.14E+3 -29.0n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM237231
PNG
(hCA inhibitor, 1)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
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1.37E+4 -27.8n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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2.12E+4 -26.7n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM237234
PNG
(hCA inhibitor, 5)
Show SMILES CCOC1Oc2c(CC)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-3-13-6-5-7-16-18(23)17(20(26-4-2)27-19(13)16)12-22-14-8-10-15(11-9-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)/b17-12+
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2.43E+4 -26.3n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM60962
PNG
(hCA inhibitor, 2)
Show SMILES CCOC1Oc2c(F)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+
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3.72E+4 -25.3n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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4.00E+4 -25.1n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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4.19E+4 -25.0n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.29E+4 -24.9n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM237232
PNG
(hCA inhibitor, 3)
Show SMILES CCOC1Oc2c(Br)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+
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4.81E+4 -24.6n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM237233
PNG
(hCA inhibitor, 4)
Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-3-5-12(6-4-11)28(21,24)25)16(23)13-7-10(19)8-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)/b14-9+
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7.12E+4 -23.7n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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1.18E+5 -22.4n/an/an/an/an/a7.425



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 27: 744-7 (2012)


Article DOI: 10.3109/14756366.2011.614607
BindingDB Entry DOI: 10.7270/Q2H70DQ2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%