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PubMed code 20554082

Compile data set for download or QSAR
Found 76 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 12


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326109
PNG
(1,4-Dihydro-4-oxo-1-(3-sulfamoylpyrid-4-yl)-3-pyri...)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S2/c11-20(16,17)9-5-13-3-1-7(9)14-4-2-8(15)10(6-14)21(12,18)19/h1-6H,(H2,11,16,17)(H2,12,18,19)
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5.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
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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5.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326108
PNG
(1,4-Dihydro-1-(2,4-dinitrophenyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H8N4O7S/c12-23(21,22)11-6-13(4-3-10(11)16)8-2-1-7(14(17)18)5-9(8)15(19)20/h1-6H,(H2,12,21,22)
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5.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326110
PNG
(1,4-Dihydro-1-(7-nitrofurazon-4-yl)-4-oxo-3-pyridi...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc([N+]([O-])=O)c2[n-][o+]nc12
Show InChI InChI=1S/C11H7N5O6S/c12-23(20,21)9-5-15(4-3-8(9)17)6-1-2-7(16(18)19)11-10(6)13-22-14-11/h1-5H,(H2,12,20,21)
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6.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326118
PNG
(1,4-Dihydro-1-methyl-4-oxo-3-pyridinesulfonamide |...)
Show SMILES Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-8-3-2-5(9)6(4-8)12(7,10)11/h2-4H,1H3,(H2,7,10,11)
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7.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326117
PNG
(1-Benzyl-1,4-dihydro-4-oxo-3-pyridinesulfonamide |...)
Show SMILES NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O
Show InChI InChI=1S/C12H12N2O3S/c13-18(16,17)12-9-14(7-6-11(12)15)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,13,16,17)
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7.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
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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8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326113
PNG
(1-(3,4-Dichlorophenacyl)-1,4-dihydro-4-oxo-3-pyrid...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O
Show InChI InChI=1S/C13H10Cl2N2O4S/c14-9-2-1-8(5-10(9)15)12(19)6-17-4-3-11(18)13(7-17)22(16,20)21/h1-5,7H,6H2,(H2,16,20,21)
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8.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326109
PNG
(1,4-Dihydro-4-oxo-1-(3-sulfamoylpyrid-4-yl)-3-pyri...)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S2/c11-20(16,17)9-5-13-3-1-7(9)14-4-2-8(15)10(6-14)21(12,18)19/h1-6H,(H2,11,16,17)(H2,12,18,19)
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8.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326114
PNG
(1-(4-Fluorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O
Show InChI InChI=1S/C13H11FN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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9.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326105
PNG
(1,4-Dihydro-1-(4-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(6-5-11(13)17)7-12(18)9-1-3-10(4-2-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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10.1n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326115
PNG
(1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O
Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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11.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326106
PNG
(1,4-Dihydro-1-(3-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2cccc(c2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(5-4-11(13)17)7-12(18)9-2-1-3-10(6-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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11.9n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
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



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326106
PNG
(1,4-Dihydro-1-(3-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2cccc(c2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(5-4-11(13)17)7-12(18)9-2-1-3-10(6-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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12.2n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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22n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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24n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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25n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
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



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326113
PNG
(1-(3,4-Dichlorophenacyl)-1,4-dihydro-4-oxo-3-pyrid...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O
Show InChI InChI=1S/C13H10Cl2N2O4S/c14-9-2-1-8(5-10(9)15)12(19)6-17-4-3-11(18)13(7-17)22(16,20)21/h1-5,7H,6H2,(H2,16,20,21)
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25.4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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27n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326118
PNG
(1,4-Dihydro-1-methyl-4-oxo-3-pyridinesulfonamide |...)
Show SMILES Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-8-3-2-5(9)6(4-8)12(7,10)11/h2-4H,1H3,(H2,7,10,11)
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28.9n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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31n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326105
PNG
(1,4-Dihydro-1-(4-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(6-5-11(13)17)7-12(18)9-1-3-10(4-2-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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31.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326114
PNG
(1-(4-Fluorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O
Show InChI InChI=1S/C13H11FN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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32.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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34n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326108
PNG
(1,4-Dihydro-1-(2,4-dinitrophenyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H8N4O7S/c12-23(21,22)11-6-13(4-3-10(11)16)8-2-1-7(14(17)18)5-9(8)15(19)20/h1-6H,(H2,12,21,22)
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34.6n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326115
PNG
(1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O
Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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35.6n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326117
PNG
(1-Benzyl-1,4-dihydro-4-oxo-3-pyridinesulfonamide |...)
Show SMILES NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O
Show InChI InChI=1S/C12H12N2O3S/c13-18(16,17)12-9-14(7-6-11(12)15)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,13,16,17)
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45.2n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326109
PNG
(1,4-Dihydro-4-oxo-1-(3-sulfamoylpyrid-4-yl)-3-pyri...)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S2/c11-20(16,17)9-5-13-3-1-7(9)14-4-2-8(15)10(6-14)21(12,18)19/h1-6H,(H2,11,16,17)(H2,12,18,19)
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50.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326110
PNG
(1,4-Dihydro-1-(7-nitrofurazon-4-yl)-4-oxo-3-pyridi...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc([N+]([O-])=O)c2[n-][o+]nc12
Show InChI InChI=1S/C11H7N5O6S/c12-23(20,21)9-5-15(4-3-8(9)17)6-1-2-7(16(18)19)11-10(6)13-22-14-11/h1-5H,(H2,12,20,21)
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56n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326116
PNG
(1-(Carbamoylmethyl)-1,4-dihydro-4-oxo-3-pyridinesu...)
Show SMILES NC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O4S/c8-7(12)4-10-2-1-5(11)6(3-10)15(9,13)14/h1-3H,4H2,(H2,8,12)(H2,9,13,14)
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64n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326111
PNG
(1,4-Dihydro-4-oxo-1-(6-purinyl)-3-pyridinesulfonam...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H8N6O3S/c11-20(18,19)7-3-16(2-1-6(7)17)10-8-9(13-4-12-8)14-5-15-10/h1-5H,(H2,11,18,19)(H,12,13,14,15)
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68n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326110
PNG
(1,4-Dihydro-1-(7-nitrofurazon-4-yl)-4-oxo-3-pyridi...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc([N+]([O-])=O)c2[n-][o+]nc12
Show InChI InChI=1S/C11H7N5O6S/c12-23(20,21)9-5-15(4-3-8(9)17)6-1-2-7(16(18)19)11-10(6)13-22-14-11/h1-5H,(H2,12,20,21)
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75n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326118
PNG
(1,4-Dihydro-1-methyl-4-oxo-3-pyridinesulfonamide |...)
Show SMILES Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-8-3-2-5(9)6(4-8)12(7,10)11/h2-4H,1H3,(H2,7,10,11)
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77n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326117
PNG
(1-Benzyl-1,4-dihydro-4-oxo-3-pyridinesulfonamide |...)
Show SMILES NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O
Show InChI InChI=1S/C12H12N2O3S/c13-18(16,17)12-9-14(7-6-11(12)15)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,13,16,17)
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80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326111
PNG
(1,4-Dihydro-4-oxo-1-(6-purinyl)-3-pyridinesulfonam...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H8N6O3S/c11-20(18,19)7-3-16(2-1-6(7)17)10-8-9(13-4-12-8)14-5-15-10/h1-5H,(H2,11,18,19)(H,12,13,14,15)
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95n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326112
PNG
(1,4-Dihydro-1-(2-methoxycarbonylaminobenzoyl)-4-ox...)
Show SMILES COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N3O6S/c1-23-14(20)16-10-5-3-2-4-9(10)13(19)17-7-6-11(18)12(8-17)24(15,21)22/h2-8H,1H3,(H,16,20)(H2,15,21,22)
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96n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326108
PNG
(1,4-Dihydro-1-(2,4-dinitrophenyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H8N4O7S/c12-23(21,22)11-6-13(4-3-10(11)16)8-2-1-7(14(17)18)5-9(8)15(19)20/h1-6H,(H2,12,21,22)
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97n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326112
PNG
(1,4-Dihydro-1-(2-methoxycarbonylaminobenzoyl)-4-ox...)
Show SMILES COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N3O6S/c1-23-14(20)16-10-5-3-2-4-9(10)13(19)17-7-6-11(18)12(8-17)24(15,21)22/h2-8H,1H3,(H,16,20)(H2,15,21,22)
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102n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326107
PNG
(1,4-Dihydro-1-(2-naphthoylmethyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O
Show InChI InChI=1S/C17H14N2O4S/c18-24(22,23)17-11-19(8-7-15(17)20)10-16(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2,(H2,18,22,23)
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103n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326106
PNG
(1,4-Dihydro-1-(3-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2cccc(c2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(5-4-11(13)17)7-12(18)9-2-1-3-10(6-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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105n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326105
PNG
(1,4-Dihydro-1-(4-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(6-5-11(13)17)7-12(18)9-1-3-10(4-2-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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106n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326114
PNG
(1-(4-Fluorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O
Show InChI InChI=1S/C13H11FN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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108n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326115
PNG
(1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O
Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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112n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326111
PNG
(1,4-Dihydro-4-oxo-1-(6-purinyl)-3-pyridinesulfonam...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H8N6O3S/c11-20(18,19)7-3-16(2-1-6(7)17)10-8-9(13-4-12-8)14-5-15-10/h1-5H,(H2,11,18,19)(H,12,13,14,15)
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113n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326113
PNG
(1-(3,4-Dichlorophenacyl)-1,4-dihydro-4-oxo-3-pyrid...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O
Show InChI InChI=1S/C13H10Cl2N2O4S/c14-9-2-1-8(5-10(9)15)12(19)6-17-4-3-11(18)13(7-17)22(16,20)21/h1-5,7H,6H2,(H2,16,20,21)
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114n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50326107
PNG
(1,4-Dihydro-1-(2-naphthoylmethyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O
Show InChI InChI=1S/C17H14N2O4S/c18-24(22,23)17-11-19(8-7-15(17)20)10-16(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2,(H2,18,22,23)
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118n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326107
PNG
(1,4-Dihydro-1-(2-naphthoylmethyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O
Show InChI InChI=1S/C17H14N2O4S/c18-24(22,23)17-11-19(8-7-15(17)20)10-16(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2,(H2,18,22,23)
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127n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326116
PNG
(1-(Carbamoylmethyl)-1,4-dihydro-4-oxo-3-pyridinesu...)
Show SMILES NC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O4S/c8-7(12)4-10-2-1-5(11)6(3-10)15(9,13)14/h1-3H,4H2,(H2,8,12)(H2,9,13,14)
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146n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50326116
PNG
(1-(Carbamoylmethyl)-1,4-dihydro-4-oxo-3-pyridinesu...)
Show SMILES NC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O4S/c8-7(12)4-10-2-1-5(11)6(3-10)15(9,13)14/h1-3H,4H2,(H2,8,12)(H2,9,13,14)
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172n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
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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310n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50326112
PNG
(1,4-Dihydro-1-(2-methoxycarbonylaminobenzoyl)-4-ox...)
Show SMILES COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N3O6S/c1-23-14(20)16-10-5-3-2-4-9(10)13(19)17-7-6-11(18)12(8-17)24(15,21)22/h2-8H,1H3,(H,16,20)(H2,15,21,22)
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381n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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780n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326105
PNG
(1,4-Dihydro-1-(4-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(6-5-11(13)17)7-12(18)9-1-3-10(4-2-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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1.09E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326106
PNG
(1,4-Dihydro-1-(3-nitrophenacyl)-4-oxo-3-pyridinesu...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2cccc(c2)[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C13H11N3O6S/c14-23(21,22)13-8-15(5-4-11(13)17)7-12(18)9-2-1-3-10(6-9)16(19)20/h1-6,8H,7H2,(H2,14,21,22)
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1.10E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326115
PNG
(1-(4-Chlorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)cc2)ccc1=O
Show InChI InChI=1S/C13H11ClN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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1.13E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326114
PNG
(1-(4-Fluorophenacyl)-1,4-dihydro-4-oxo-3-pyridines...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(F)cc2)ccc1=O
Show InChI InChI=1S/C13H11FN2O4S/c14-10-3-1-9(2-4-10)12(18)7-16-6-5-11(17)13(8-16)21(15,19)20/h1-6,8H,7H2,(H2,15,19,20)
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1.17E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326113
PNG
(1-(3,4-Dichlorophenacyl)-1,4-dihydro-4-oxo-3-pyrid...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc(Cl)c(Cl)c2)ccc1=O
Show InChI InChI=1S/C13H10Cl2N2O4S/c14-9-2-1-8(5-10(9)15)12(19)6-17-4-3-11(18)13(7-17)22(16,20)21/h1-5,7H,6H2,(H2,16,20,21)
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1.18E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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1.20E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326111
PNG
(1,4-Dihydro-4-oxo-1-(6-purinyl)-3-pyridinesulfonam...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H8N6O3S/c11-20(18,19)7-3-16(2-1-6(7)17)10-8-9(13-4-12-8)14-5-15-10/h1-5H,(H2,11,18,19)(H,12,13,14,15)
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1.83E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326118
PNG
(1,4-Dihydro-1-methyl-4-oxo-3-pyridinesulfonamide |...)
Show SMILES Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-8-3-2-5(9)6(4-8)12(7,10)11/h2-4H,1H3,(H2,7,10,11)
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3.44E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326117
PNG
(1-Benzyl-1,4-dihydro-4-oxo-3-pyridinesulfonamide |...)
Show SMILES NS(=O)(=O)c1cn(Cc2ccccc2)ccc1=O
Show InChI InChI=1S/C12H12N2O3S/c13-18(16,17)12-9-14(7-6-11(12)15)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,13,16,17)
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4.12E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326110
PNG
(1,4-Dihydro-1-(7-nitrofurazon-4-yl)-4-oxo-3-pyridi...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc([N+]([O-])=O)c2[n-][o+]nc12
Show InChI InChI=1S/C11H7N5O6S/c12-23(20,21)9-5-15(4-3-8(9)17)6-1-2-7(16(18)19)11-10(6)13-22-14-11/h1-5H,(H2,12,20,21)
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4.16E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326116
PNG
(1-(Carbamoylmethyl)-1,4-dihydro-4-oxo-3-pyridinesu...)
Show SMILES NC(=O)Cn1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O4S/c8-7(12)4-10-2-1-5(11)6(3-10)15(9,13)14/h1-3H,4H2,(H2,8,12)(H2,9,13,14)
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5.88E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326108
PNG
(1,4-Dihydro-1-(2,4-dinitrophenyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(ccc1=O)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H8N4O7S/c12-23(21,22)11-6-13(4-3-10(11)16)8-2-1-7(14(17)18)5-9(8)15(19)20/h1-6H,(H2,12,21,22)
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6.10E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326109
PNG
(1,4-Dihydro-4-oxo-1-(3-sulfamoylpyrid-4-yl)-3-pyri...)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S2/c11-20(16,17)9-5-13-3-1-7(9)14-4-2-8(15)10(6-14)21(12,18)19/h1-6H,(H2,11,16,17)(H2,12,18,19)
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7.13E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326112
PNG
(1,4-Dihydro-1-(2-methoxycarbonylaminobenzoyl)-4-ox...)
Show SMILES COC(=O)Nc1ccccc1C(=O)n1ccc(=O)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N3O6S/c1-23-14(20)16-10-5-3-2-4-9(10)13(19)17-7-6-11(18)12(8-17)24(15,21)22/h2-8H,1H3,(H,16,20)(H2,15,21,22)
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1.21E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50326107
PNG
(1,4-Dihydro-1-(2-naphthoylmethyl)-4-oxo-3-pyridine...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)c2ccc3ccccc3c2)ccc1=O
Show InChI InChI=1S/C17H14N2O4S/c18-24(22,23)17-11-19(8-7-15(17)20)10-16(21)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2,(H2,18,22,23)
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1.42E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 45: 3656-61 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.011
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%