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PubMed code 21820216

Compile data set for download or QSAR
Found 75 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 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
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
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
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
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
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
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
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
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 carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(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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8.20n/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 46: 4403-10 (2011)


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


(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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8.70n/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 46: 4403-10 (2011)


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


(Homo sapiens (Human))
BDBM50351137
PNG
(CHEMBL1817903)
Show SMILES Cc1cc[n+](cc1)-c1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C11H12N3O2S/c1-9-3-6-14(7-4-9)10-2-5-13-8-11(10)17(12,15)16/h2-8H,1H3,(H2,12,15,16)/q+1
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9n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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9n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50351136
PNG
(CHEMBL1817904)
Show SMILES C[N+](C)=c1ccn(cc1)-c1ccncc1S(N)(=O)=O |(26.5,-5.88,;25.16,-5.12,;25.15,-3.58,;23.83,-5.89,;23.83,-7.44,;22.5,-8.21,;21.17,-7.44,;21.16,-5.91,;22.48,-5.13,;19.84,-8.21,;18.51,-7.45,;17.18,-8.22,;17.18,-9.77,;18.51,-10.54,;19.85,-9.76,;21.18,-10.53,;21.19,-12.07,;21.94,-9.19,;22.72,-10.53,)|
Show InChI InChI=1S/C12H15N4O2S/c1-15(2)10-4-7-16(8-5-10)11-3-6-14-9-12(11)19(13,17)18/h3-9H,1-2H3,(H2,13,17,18)/q+1
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9n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50351142
PNG
(CHEMBL1817907)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccccc1=O
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)9-7-12-5-4-8(9)13-6-2-1-3-10(13)14/h1-7H,(H2,11,15,16)
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9.10n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50351136
PNG
(CHEMBL1817904)
Show SMILES C[N+](C)=c1ccn(cc1)-c1ccncc1S(N)(=O)=O |(26.5,-5.88,;25.16,-5.12,;25.15,-3.58,;23.83,-5.89,;23.83,-7.44,;22.5,-8.21,;21.17,-7.44,;21.16,-5.91,;22.48,-5.13,;19.84,-8.21,;18.51,-7.45,;17.18,-8.22,;17.18,-9.77,;18.51,-10.54,;19.85,-9.76,;21.18,-10.53,;21.19,-12.07,;21.94,-9.19,;22.72,-10.53,)|
Show InChI InChI=1S/C12H15N4O2S/c1-15(2)10-4-7-16(8-5-10)11-3-6-14-9-12(11)19(13,17)18/h3-9H,1-2H3,(H2,13,17,18)/q+1
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9.90n/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 46: 4403-10 (2011)


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


(Homo sapiens (Human))
BDBM50351137
PNG
(CHEMBL1817903)
Show SMILES Cc1cc[n+](cc1)-c1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C11H12N3O2S/c1-9-3-6-14(7-4-9)10-2-5-13-8-11(10)17(12,15)16/h2-8H,1H3,(H2,12,15,16)/q+1
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50351142
PNG
(CHEMBL1817907)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccccc1=O
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)9-7-12-5-4-8(9)13-6-2-1-3-10(13)14/h1-7H,(H2,11,15,16)
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10.2n/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
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 carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(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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13.5n/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 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
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 carbonic anhydrase 2 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
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 carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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16.4n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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18.3n/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
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 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
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 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
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 carbonic anhydrase 1 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
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 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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 full length carbonic anhydrase 14 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
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 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
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 carbonic anhydrase 1 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
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 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
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 carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIV


(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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41n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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43n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
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 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
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 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
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 carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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54.6n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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76.4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50351142
PNG
(CHEMBL1817907)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccccc1=O
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)9-7-12-5-4-8(9)13-6-2-1-3-10(13)14/h1-7H,(H2,11,15,16)
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80.6n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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86.1n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50351136
PNG
(CHEMBL1817904)
Show SMILES C[N+](C)=c1ccn(cc1)-c1ccncc1S(N)(=O)=O |(26.5,-5.88,;25.16,-5.12,;25.15,-3.58,;23.83,-5.89,;23.83,-7.44,;22.5,-8.21,;21.17,-7.44,;21.16,-5.91,;22.48,-5.13,;19.84,-8.21,;18.51,-7.45,;17.18,-8.22,;17.18,-9.77,;18.51,-10.54,;19.85,-9.76,;21.18,-10.53,;21.19,-12.07,;21.94,-9.19,;22.72,-10.53,)|
Show InChI InChI=1S/C12H15N4O2S/c1-15(2)10-4-7-16(8-5-10)11-3-6-14-9-12(11)19(13,17)18/h3-9H,1-2H3,(H2,13,17,18)/q+1
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87.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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89n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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93.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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98.3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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98.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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102n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50351137
PNG
(CHEMBL1817903)
Show SMILES Cc1cc[n+](cc1)-c1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C11H12N3O2S/c1-9-3-6-14(7-4-9)10-2-5-13-8-11(10)17(12,15)16/h2-8H,1H3,(H2,12,15,16)/q+1
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104n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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104n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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113n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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127n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50351136
PNG
(CHEMBL1817904)
Show SMILES C[N+](C)=c1ccn(cc1)-c1ccncc1S(N)(=O)=O |(26.5,-5.88,;25.16,-5.12,;25.15,-3.58,;23.83,-5.89,;23.83,-7.44,;22.5,-8.21,;21.17,-7.44,;21.16,-5.91,;22.48,-5.13,;19.84,-8.21,;18.51,-7.45,;17.18,-8.22,;17.18,-9.77,;18.51,-10.54,;19.85,-9.76,;21.18,-10.53,;21.19,-12.07,;21.94,-9.19,;22.72,-10.53,)|
Show InChI InChI=1S/C12H15N4O2S/c1-15(2)10-4-7-16(8-5-10)11-3-6-14-9-12(11)19(13,17)18/h3-9H,1-2H3,(H2,13,17,18)/q+1
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149n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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152n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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220n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
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 carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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336n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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345n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50351137
PNG
(CHEMBL1817903)
Show SMILES Cc1cc[n+](cc1)-c1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C11H12N3O2S/c1-9-3-6-14(7-4-9)10-2-5-13-8-11(10)17(12,15)16/h2-8H,1H3,(H2,12,15,16)/q+1
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391n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50351142
PNG
(CHEMBL1817907)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccccc1=O
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)9-7-12-5-4-8(9)13-6-2-1-3-10(13)14/h1-7H,(H2,11,15,16)
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487n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 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
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 carbonic anhydrase 1 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
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 carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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2.46E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50351136
PNG
(CHEMBL1817904)
Show SMILES C[N+](C)=c1ccn(cc1)-c1ccncc1S(N)(=O)=O |(26.5,-5.88,;25.16,-5.12,;25.15,-3.58,;23.83,-5.89,;23.83,-7.44,;22.5,-8.21,;21.17,-7.44,;21.16,-5.91,;22.48,-5.13,;19.84,-8.21,;18.51,-7.45,;17.18,-8.22,;17.18,-9.77,;18.51,-10.54,;19.85,-9.76,;21.18,-10.53,;21.19,-12.07,;21.94,-9.19,;22.72,-10.53,)|
Show InChI InChI=1S/C12H15N4O2S/c1-15(2)10-4-7-16(8-5-10)11-3-6-14-9-12(11)19(13,17)18/h3-9H,1-2H3,(H2,13,17,18)/q+1
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2.91E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50351137
PNG
(CHEMBL1817903)
Show SMILES Cc1cc[n+](cc1)-c1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C11H12N3O2S/c1-9-3-6-14(7-4-9)10-2-5-13-8-11(10)17(12,15)16/h2-8H,1H3,(H2,12,15,16)/q+1
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4.56E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50351142
PNG
(CHEMBL1817907)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccccc1=O
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)9-7-12-5-4-8(9)13-6-2-1-3-10(13)14/h1-7H,(H2,11,15,16)
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5.38E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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5.45E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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6.12E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
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 carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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7.60E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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2.51E+5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 1 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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%