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PubMed code 26803577

Compile data set for download or QSAR
Found 92 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))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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1.70n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50140448
PNG
(CHEMBL1579806)
Show SMILES COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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1.80n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143605
PNG
(CHEMBL3758188)
Show SMILES Cc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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1.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50139131
PNG
(CHEMBL3759945)
Show SMILES CN(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
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1.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143605
PNG
(CHEMBL3758188)
Show SMILES Cc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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2.10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143779
PNG
(CHEMBL3759587)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C13H12Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50139130
PNG
(CHEMBL3758586)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C13H12Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143771
PNG
(CHEMBL3758537)
Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50140448
PNG
(CHEMBL1579806)
Show SMILES COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143779
PNG
(CHEMBL3759587)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C13H12Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50139130
PNG
(CHEMBL3758586)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C13H12Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143771
PNG
(CHEMBL3758537)
Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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2.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50140309
PNG
(CHEMBL248691)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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2.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50139131
PNG
(CHEMBL3759945)
Show SMILES CN(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
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2.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143601
PNG
(CHEMBL3759307)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)
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2.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50140309
PNG
(CHEMBL248691)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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2.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143769
PNG
(CHEMBL3760099)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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2.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143803
PNG
(CHEMBL3758614)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
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2.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143803
PNG
(CHEMBL3758614)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
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3n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143769
PNG
(CHEMBL3760099)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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3.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143601
PNG
(CHEMBL3759307)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)
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3.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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6n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143804
PNG
(CHEMBL3758702)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C13H10Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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7.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143803
PNG
(CHEMBL3758614)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
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8.10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50371765
PNG
(CHEMBL270671)
Show SMILES CN(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-11H,1-2H3,(H2,16,19,20)/b17-11+
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8.80n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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9.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50140310
PNG
(CHEMBL3758730)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+
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9.70n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50371763
PNG
(CHEMBL429915)
Show SMILES Cc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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9.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50142633
PNG
(CHEMBL3760079)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1O
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-9,16H,(H2,14,17,18)/b15-9+
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10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50229543
PNG
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+
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11n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50371762
PNG
(CHEMBL271911)
Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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11n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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12n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

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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12n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143605
PNG
(CHEMBL3758188)
Show SMILES Cc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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18n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50140309
PNG
(CHEMBL248691)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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21n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50139130
PNG
(CHEMBL3758586)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C13H12Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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21n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50140448
PNG
(CHEMBL1579806)
Show SMILES COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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22n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50139131
PNG
(CHEMBL3759945)
Show SMILES CN(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
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22n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50371763
PNG
(CHEMBL429915)
Show SMILES Cc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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24n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
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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25n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143771
PNG
(CHEMBL3758537)
Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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25n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50140309
PNG
(CHEMBL248691)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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31n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143779
PNG
(CHEMBL3759587)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C13H12Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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32n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143804
PNG
(CHEMBL3758702)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C13H10Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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36n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50140310
PNG
(CHEMBL3758730)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+
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36n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143601
PNG
(CHEMBL3759307)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)
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38n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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39n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143779
PNG
(CHEMBL3759587)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C13H12Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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42n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50371765
PNG
(CHEMBL270671)
Show SMILES CN(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-11H,1-2H3,(H2,16,19,20)/b17-11+
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42n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143769
PNG
(CHEMBL3760099)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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43n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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48n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143803
PNG
(CHEMBL3758614)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
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49n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143605
PNG
(CHEMBL3758188)
Show SMILES Cc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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121n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143771
PNG
(CHEMBL3758537)
Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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131n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50139130
PNG
(CHEMBL3758586)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C13H12Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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138n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143769
PNG
(CHEMBL3760099)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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213n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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248n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

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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250n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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251n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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257n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50142633
PNG
(CHEMBL3760079)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1O
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-9,16H,(H2,14,17,18)/b15-9+
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258n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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264n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50229543
PNG
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+
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289n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143804
PNG
(CHEMBL3758702)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C13H10Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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290n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50371765
PNG
(CHEMBL270671)
Show SMILES CN(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-11H,1-2H3,(H2,16,19,20)/b17-11+
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328n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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360n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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404n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143601
PNG
(CHEMBL3759307)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)
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404n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50371765
PNG
(CHEMBL270671)
Show SMILES CN(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-11H,1-2H3,(H2,16,19,20)/b17-11+
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421n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50140448
PNG
(CHEMBL1579806)
Show SMILES COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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427n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50142633
PNG
(CHEMBL3760079)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1O
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-9,16H,(H2,14,17,18)/b15-9+
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428n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143804
PNG
(CHEMBL3758702)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C13H10Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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442n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50229543
PNG
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+
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454n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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458n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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463n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50371762
PNG
(CHEMBL271911)
Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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464n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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465n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50371763
PNG
(CHEMBL429915)
Show SMILES Cc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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469n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50371762
PNG
(CHEMBL271911)
Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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883n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50142633
PNG
(CHEMBL3760079)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1O
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-9,16H,(H2,14,17,18)/b15-9+
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952n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50140310
PNG
(CHEMBL3758730)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50140310
PNG
(CHEMBL3758730)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-14H,15H2,(H2,21,23,24)/b22-14+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50229543
PNG
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50371763
PNG
(CHEMBL429915)
Show SMILES Cc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50139131
PNG
(CHEMBL3759945)
Show SMILES CN(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50371762
PNG
(CHEMBL271911)
Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%