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Compile Data Set for Download or QSAR

Found 639 hits with Last Name = 'brzozowski' and Initial = 'z'   
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))
BDBM50320508
PNG
(4-[N'-(6-Chloro-7-cyano-1,1-dioxo-1,4,2-benzodithi...)
Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1 |w:11.11|
Show InChI InChI=1S/C13H9ClN6O4S3/c14-8-4-10-11(3-7(8)5-15)27(23,24)20-13(25-10)19-18-9-1-2-17-6-12(9)26(16,21)22/h1-4,6H,(H,17,18)(H,19,20)(H2,16,21,22)
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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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
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 CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
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 CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320522
PNG
(4-(1-Methyl-5-tetrazolylthio)pyridine-3-sulfonamid...)
Show SMILES Cn1nnnc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H8N6O2S2/c1-13-7(10-11-12-13)16-5-2-3-9-4-6(5)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
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4.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320506
PNG
(4-[N'-(1,1-Dioxopyrido[4,3-e]-1,4,2-dithiazin-3-yl...)
Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1 |w:11.11|
Show InChI InChI=1S/C11H10N6O4S3/c12-23(18,19)9-5-13-3-1-7(9)15-16-11-17-24(20,21)10-6-14-4-2-8(10)22-11/h1-6H,(H,13,15)(H,16,17)(H2,12,18,19)
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4.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320522
PNG
(4-(1-Methyl-5-tetrazolylthio)pyridine-3-sulfonamid...)
Show SMILES Cn1nnnc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H8N6O2S2/c1-13-7(10-11-12-13)16-5-2-3-9-4-6(5)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
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4.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320519
PNG
(4,4'-thiodipyridine-3-sulfonamide | CHEMBL1164504)
Show SMILES NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O4S3/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
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4.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320510
PNG
(4-Hydrazino-3-pyridinesulfonamide | CHEMBL1164967)
Show SMILES NNc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O2S/c6-9-4-1-2-8-3-5(4)12(7,10)11/h1-3H,6H2,(H,8,9)(H2,7,10,11)
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4.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320521
PNG
(4-(1,3,4-Thiadiozol-2-ylthio)pyridine-3-sulfonamid...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1nnns1
Show InChI InChI=1S/C6H5N5O2S3/c7-16(12,13)5-3-8-2-1-4(5)14-6-9-10-11-15-6/h1-3H,(H2,7,12,13)
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5.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
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 carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320505
PNG
(4-Methoxy-3-pyridinesulfonamide | CHEMBL1165321)
Show SMILES COc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
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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 carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
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 CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320505
PNG
(4-Methoxy-3-pyridinesulfonamide | CHEMBL1165321)
Show SMILES COc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
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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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320507
PNG
(4-[N'-(6-Chloro-7-methyl-1,1-dioxo-1,4,2-benzodith...)
Show SMILES Cc1cc2c(SC(NS2(=O)=O)=NNc2ccncc2S(N)(=O)=O)cc1Cl |w:11.12|
Show InChI InChI=1S/C13H12ClN5O4S3/c1-7-4-11-10(5-8(7)14)24-13(19-26(11,22)23)18-17-9-2-3-16-6-12(9)25(15,20)21/h2-6H,1H3,(H,16,17)(H,18,19)(H2,15,20,21)
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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 carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320504
PNG
(4-Ethoxy-3-pyridinesulfonamide | CHEMBL1165319)
Show SMILES CCOc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O3S/c1-2-12-6-3-4-9-5-7(6)13(8,10)11/h3-5H,2H2,1H3,(H2,8,10,11)
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5.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50351140
PNG
(CHEMBL1817908)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S2/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
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6n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50351135
PNG
(CHEMBL1817905)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)10-7-12-4-1-9(10)13-5-2-8(14)3-6-13/h1-7H,(H2,11,15,16)
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6.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320503
PNG
(4-(4-Cyanophenoxy)-3-pyridinesulfonamide | CHEMBL1...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C12H9N3O3S/c13-7-9-1-3-10(4-2-9)18-11-5-6-15-8-12(11)19(14,16)17/h1-6,8H,(H2,14,16,17)
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6.30n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320516
PNG
(4-(2-Propynylthio)pyridine-3-sulfonamide | CHEMBL1...)
Show SMILES NS(=O)(=O)c1cnccc1SCC#C
Show InChI InChI=1S/C8H8N2O2S2/c1-2-5-13-7-3-4-10-6-8(7)14(9,11)12/h1,3-4,6H,5H2,(H2,9,11,12)
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6.30n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320515
PNG
(4-Benzythiopyridine-3-sulfonamide | CHEMBL1164472)
Show SMILES NS(=O)(=O)c1cnccc1SCc1ccccc1
Show InChI InChI=1S/C12H12N2O2S2/c13-18(15,16)12-8-14-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)
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6.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320500
PNG
(4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide |...)
Show SMILES Cc1ccc2cccc(Oc3ccncc3S(N)(=O)=O)c2n1
Show InChI InChI=1S/C15H13N3O3S/c1-10-5-6-11-3-2-4-13(15(11)18-10)21-12-7-8-17-9-14(12)22(16,19)20/h2-9H,1H3,(H2,16,19,20)
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6.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320518
PNG
(4-Methylthiopyridine-3-sulfonamide | CHEMBL1165117)
Show SMILES CSc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S2/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
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6.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320501
PNG
(4-(Quinolinoxy)-3-pyridinesulfonamide | CHEMBL1165...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)13-9-16-8-6-11(13)20-12-5-1-3-10-4-2-7-17-14(10)12/h1-9H,(H2,15,18,19)
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6.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320502
PNG
(4-(4-Fluorophenoxy)-3-pyridinesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1
Show InChI InChI=1S/C11H9FN2O3S/c12-8-1-3-9(4-2-8)17-10-5-6-14-7-11(10)18(13,15)16/h1-7H,(H2,13,15,16)
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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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320508
PNG
(4-[N'-(6-Chloro-7-cyano-1,1-dioxo-1,4,2-benzodithi...)
Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1 |w:11.11|
Show InChI InChI=1S/C13H9ClN6O4S3/c14-8-4-10-11(3-7(8)5-15)27(23,24)20-13(25-10)19-18-9-1-2-17-6-12(9)26(16,21)22/h1-4,6H,(H,17,18)(H,19,20)(H2,16,21,22)
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7.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320503
PNG
(4-(4-Cyanophenoxy)-3-pyridinesulfonamide | CHEMBL1...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C12H9N3O3S/c13-7-9-1-3-10(4-2-9)18-11-5-6-15-8-12(11)19(14,16)17/h1-6,8H,(H2,14,16,17)
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7.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50351138
PNG
(CHEMBL1817902)
Show SMILES Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C11H12N3O2S/c1-9-4-2-3-7-14(9)10-5-6-13-8-11(10)17(12,15)16/h2-8H,1H3,(H2,12,15,16)/q+1
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7.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50351143
PNG
(CHEMBL1817906)
Show SMILES COC1=CC=CC2N1c1ccncc1S(=O)(=O)N2c1ccncc1S(N)(=O)=O |c:4,t:2|
Show InChI InChI=1S/C16H15N5O5S2/c1-26-16-4-2-3-15-20(16)11-5-7-19-10-14(11)28(24,25)21(15)12-6-8-18-9-13(12)27(17,22)23/h2-10,15H,1H3,(H2,17,22,23)
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7.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320509
PNG
(4-[2-(4-Sulfamoylphenyl)ethylamino]-3-pyridinosulf...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H16N4O4S2/c14-22(18,19)11-3-1-10(2-4-11)5-8-17-12-6-7-16-9-13(12)23(15,20)21/h1-4,6-7,9H,5,8H2,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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7.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320499
PNG
(4-(N-Oxide-2-pyridylthio)pyridine-3-sulfonamide | ...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-]
Show InChI InChI=1S/C10H9N3O3S2/c11-18(15,16)9-7-12-5-4-8(9)17-10-3-1-2-6-13(10)14/h1-7H,(H2,11,15,16)
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7.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50351139
PNG
(CHEMBL1817901)
Show SMILES NS(=O)(=O)c1cnccc1-[n+]1ccccc1
Show InChI InChI=1S/C10H10N3O2S/c11-16(14,15)10-8-12-5-4-9(10)13-6-2-1-3-7-13/h1-8H,(H2,11,14,15)/q+1
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7.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320521
PNG
(4-(1,3,4-Thiadiozol-2-ylthio)pyridine-3-sulfonamid...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1nnns1
Show InChI InChI=1S/C6H5N5O2S3/c7-16(12,13)5-3-8-2-1-4(5)14-6-9-10-11-15-6/h1-3H,(H2,7,12,13)
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7.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320512
PNG
(4-(5-Methyl-2-pirazolino)-3-pyridinesulfonamide | ...)
Show SMILES CC1CC=NN1c1ccncc1S(N)(=O)=O |c:3|
Show InChI InChI=1S/C9H12N4O2S/c1-7-2-5-12-13(7)8-3-4-11-6-9(8)16(10,14)15/h3-7H,2H2,1H3,(H2,10,14,15)
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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 carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50351141
PNG
(CHEMBL1817672)
Show SMILES COC1=C(C2NS(=O)(=O)c3cnccc3N2C=C1)S(N)(=O)=O |c:18,t:2|
Show InChI InChI=1S/C11H12N4O5S2/c1-20-8-3-5-15-7-2-4-13-6-9(7)22(18,19)14-11(15)10(8)21(12,16)17/h2-6,11,14H,1H3,(H2,12,16,17)
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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 carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
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
BindingDB Entry DOI: 10.7270/Q2SF2WCP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320502
PNG
(4-(4-Fluorophenoxy)-3-pyridinesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1
Show InChI InChI=1S/C11H9FN2O3S/c12-8-1-3-9(4-2-8)17-10-5-6-14-7-11(10)18(13,15)16/h1-7H,(H2,13,15,16)
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7.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
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 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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