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Compile Data Set for Download or QSAR

Found 763 hits with Last Name = 'slawinski' and Initial = 'j'   
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))
BDBM50019542
PNG
(CHEMBL3291110)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl3N3O4S/c15-8-3-1-7(2-4-8)13(21)19-20-14(22)9-5-12(25(18,23)24)11(17)6-10(9)16/h1-6H,(H,19,21)(H,20,22)(H2,18,23,24)
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2.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019578
PNG
(CHEMBL3291087)
Show SMILES Cc1nnc(o1)-c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C9H7Cl2N3O3S/c1-4-13-14-9(17-4)5-2-8(18(12,15)16)7(11)3-6(5)10/h2-3H,1H3,(H2,12,15,16)
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2.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019587
PNG
(CHEMBL3291096)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-9-6-10(15)12(22(16,20)21)7-11(9)18-13(19)17-8-4-2-1-3-5-8/h1-7H,(H2,16,20,21)(H2,17,18,19)
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2.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019577
PNG
(CHEMBL3291086)
Show SMILES NS(=O)(=O)c1cc(-c2nnco2)c(Cl)cc1Cl
Show InChI InChI=1S/C8H5Cl2N3O3S/c9-5-2-6(10)7(17(11,14)15)1-4(5)8-13-12-3-16-8/h1-3H,(H2,11,14,15)
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3.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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))
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))
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 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))
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))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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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 transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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 transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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 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))
BDBM50019530
PNG
(CHEMBL3291098)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(c(Cl)cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12Cl2N4O5S2/c14-9-5-10(15)12(26(17,23)24)6-11(9)19-13(20)18-7-1-3-8(4-2-7)25(16,21)22/h1-6H,(H2,16,21,22)(H2,17,23,24)(H2,18,19,20)
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3.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019540
PNG
(CHEMBL3291108)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)c(Cl)cc1Cl
Show InChI InChI=1S/C12H9Cl2N3O5S/c13-7-5-8(14)10(23(15,20)21)4-6(7)11(18)16-17-12(19)9-2-1-3-22-9/h1-5H,(H,16,18)(H,17,19)(H2,15,20,21)
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3.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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))
BDBM50019588
PNG
(CHEMBL3291097)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C13H10Cl3N3O3S/c14-7-1-3-8(4-2-7)18-13(20)19-11-6-12(23(17,21)22)10(16)5-9(11)15/h1-6H,(H2,17,21,22)(H2,18,19,20)
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4.30n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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 9


(Homo sapiens (Human))
BDBM50019585
PNG
(CHEMBL3291094)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C15H11Cl2N3O3S/c1-8-2-4-9(5-3-8)14-19-20-15(23-14)10-6-13(24(18,21)22)12(17)7-11(10)16/h2-7H,1H3,(H2,18,21,22)
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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 transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019540
PNG
(CHEMBL3291108)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)c(Cl)cc1Cl
Show InChI InChI=1S/C12H9Cl2N3O5S/c13-7-5-8(14)10(23(15,20)21)4-6(7)11(18)16-17-12(19)9-2-1-3-22-9/h1-5H,(H,16,18)(H,17,19)(H2,15,20,21)
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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 transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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))
BDBM50019542
PNG
(CHEMBL3291110)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl3N3O4S/c15-8-3-1-7(2-4-8)13(21)19-20-14(22)9-5-12(25(18,23)24)11(17)6-10(9)16/h1-6H,(H,19,21)(H,20,22)(H2,18,23,24)
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4.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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))
BDBM50019541
PNG
(CHEMBL3291109)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl2N3O4S/c15-10-7-11(16)12(24(17,22)23)6-9(10)14(21)19-18-13(20)8-4-2-1-3-5-8/h1-7H,(H,18,20)(H,19,21)(H2,17,22,23)
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5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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 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))
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 12


(Homo sapiens (Human))
BDBM50019586
PNG
(CHEMBL3291095)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(s2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O2S2/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21)
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5.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019571
PNG
(CHEMBL3291111)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C15H13Cl2N3O4S/c1-8-2-4-9(5-3-8)14(21)19-20-15(22)10-6-13(25(18,23)24)12(17)7-11(10)16/h2-7H,1H3,(H,19,21)(H,20,22)(H2,18,23,24)
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5.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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 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))
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 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 transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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))
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 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 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))
BDBM50019578
PNG
(CHEMBL3291087)
Show SMILES Cc1nnc(o1)-c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C9H7Cl2N3O3S/c1-4-13-14-9(17-4)5-2-8(18(12,15)16)7(11)3-6(5)10/h2-3H,1H3,(H2,12,15,16)
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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 transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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))
BDBM50019582
PNG
(CHEMBL3291091)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)o2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl3N4O3S/c15-7-1-3-8(4-2-7)19-14-21-20-13(24-14)9-5-12(25(18,22)23)11(17)6-10(9)16/h1-6H,(H,19,21)(H2,18,22,23)
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6.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
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 9


(Homo sapiens (Human))
BDBM50019580
PNG
(CHEMBL3291089)
Show SMILES NS(=O)(=O)c1cc(-c2nnc([nH]2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl3N4O2S/c15-8-3-1-7(2-4-8)13-19-14(21-20-13)9-5-12(24(18,22)23)11(17)6-10(9)16/h1-6H,(H2,18,22,23)(H,19,20,21)
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6.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
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