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PubMed code 24871996

Compile data set for download or QSAR
Found 124 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))
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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6.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(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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7n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019581
PNG
(CHEMBL3291090)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O3S/c15-10-7-11(16)12(24(17,21)22)6-9(10)13-19-20-14(23-13)18-8-4-2-1-3-5-8/h1-7H,(H,18,20)(H2,17,21,22)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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7.10n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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7.60n/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
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 cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/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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8n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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8.10n/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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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8.20n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019539
PNG
(CHEMBL3291107)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C15H14Cl2N4O6S2/c1-8-2-4-9(5-3-8)29(26,27)21-15(23)20-19-14(22)10-6-13(28(18,24)25)12(17)7-11(10)16/h2-7H,1H3,(H,19,22)(H2,18,24,25)(H2,20,21,23)
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8.40n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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8.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(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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8.90n/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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019579
PNG
(CHEMBL3291088)
Show SMILES NS(=O)(=O)c1cc(-c2nnc([nH]2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O2S/c15-10-7-11(16)12(23(17,21)22)6-9(10)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H,(H2,17,21,22)(H,18,19,20)
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9.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
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11n/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
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 cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(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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13n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/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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13n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019579
PNG
(CHEMBL3291088)
Show SMILES NS(=O)(=O)c1cc(-c2nnc([nH]2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O2S/c15-10-7-11(16)12(23(17,21)22)6-9(10)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H,(H2,17,21,22)(H,18,19,20)
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13n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019533
PNG
(CHEMBL3291101)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)
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13n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(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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14n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019581
PNG
(CHEMBL3291090)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O3S/c15-10-7-11(16)12(24(17,21)22)6-9(10)13-19-20-14(23-13)18-8-4-2-1-3-5-8/h1-7H,(H,18,20)(H2,17,21,22)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
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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 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
More data for this
Ligand-Target Pair
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 cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019539
PNG
(CHEMBL3291107)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C15H14Cl2N4O6S2/c1-8-2-4-9(5-3-8)29(26,27)21-15(23)20-19-14(22)10-6-13(28(18,24)25)12(17)7-11(10)16/h2-7H,1H3,(H,19,22)(H2,18,24,25)(H2,20,21,23)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
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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 cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(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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15n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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16n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019532
PNG
(CHEMBL3291100)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O4S/c15-10-6-11(16)13(24(17,21)22)7-12(10)18-14(20)19-23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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19n/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
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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019531
PNG
(CHEMBL3291099)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O3S/c15-10-6-11(16)13(23(17,21)22)7-12(10)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019531
PNG
(CHEMBL3291099)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O3S/c15-10-6-11(16)13(23(17,21)22)7-12(10)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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23n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019533
PNG
(CHEMBL3291101)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)
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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 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
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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019537
PNG
(CHEMBL3291105)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O3S2/c15-10-7-11(16)12(25(17,22)23)6-9(10)13(21)19-20-14(24)18-8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,22,23)(H2,18,20,24)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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24n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
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 cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019534
PNG
(CHEMBL3291102)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N4O3S/c16-10-7-11(17)14(25(18,23)24)8-12(10)19-15(22)20-21-6-5-9-3-1-2-4-13(9)21/h1-8H,(H2,18,23,24)(H2,19,20,22)
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26n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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27n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019538
PNG
(CHEMBL3291106)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl3N4O3S2/c15-7-1-3-8(4-2-7)19-14(25)21-20-13(22)9-5-12(26(18,23)24)11(17)6-10(9)16/h1-6H,(H,20,22)(H2,18,23,24)(H2,19,21,25)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/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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28n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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29n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019538
PNG
(CHEMBL3291106)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl3N4O3S2/c15-7-1-3-8(4-2-7)19-14(25)21-20-13(22)9-5-12(26(18,23)24)11(17)6-10(9)16/h1-6H,(H,20,22)(H2,18,23,24)(H2,19,21,25)
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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
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 cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019537
PNG
(CHEMBL3291105)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O3S2/c15-10-7-11(16)12(25(17,22)23)6-9(10)13(21)19-20-14(24)18-8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,22,23)(H2,18,20,24)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019534
PNG
(CHEMBL3291102)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N4O3S/c16-10-7-11(17)14(25(18,23)24)8-12(10)19-15(22)20-21-6-5-9-3-1-2-4-13(9)21/h1-8H,(H2,18,23,24)(H2,19,20,22)
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32n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50019532
PNG
(CHEMBL3291100)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O4S/c15-10-6-11(16)13(24(17,21)22)7-12(10)18-14(20)19-23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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33n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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33n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
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 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
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 cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50019535
PNG
(CHEMBL3291103)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)
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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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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39n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019532
PNG
(CHEMBL3291100)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O4S/c15-10-6-11(16)13(24(17,21)22)7-12(10)18-14(20)19-23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019581
PNG
(CHEMBL3291090)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O3S/c15-10-7-11(16)12(24(17,21)22)6-9(10)13-19-20-14(23-13)18-8-4-2-1-3-5-8/h1-7H,(H,18,20)(H2,17,21,22)
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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 cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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44n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019535
PNG
(CHEMBL3291103)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)
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44n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019579
PNG
(CHEMBL3291088)
Show SMILES NS(=O)(=O)c1cc(-c2nnc([nH]2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O2S/c15-10-7-11(16)12(23(17,21)22)6-9(10)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H,(H2,17,21,22)(H,18,19,20)
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47n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
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 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
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 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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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54n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019531
PNG
(CHEMBL3291099)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O3S/c15-10-6-11(16)13(23(17,21)22)7-12(10)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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57n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019539
PNG
(CHEMBL3291107)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C15H14Cl2N4O6S2/c1-8-2-4-9(5-3-8)29(26,27)21-15(23)20-19-14(22)10-6-13(28(18,24)25)12(17)7-11(10)16/h2-7H,1H3,(H,19,22)(H2,18,24,25)(H2,20,21,23)
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63n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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68n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019536
PNG
(CHEMBL3291104)
Show SMILES NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N4O5S/c20-13-8-14(21)18(31(22,27)28)9-15(13)23-19(26)25-5-3-24(4-6-25)10-12-1-2-16-17(7-12)30-11-29-16/h1-2,7-9H,3-6,10-11H2,(H,23,26)(H2,22,27,28)
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76n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019533
PNG
(CHEMBL3291101)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)
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79n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019534
PNG
(CHEMBL3291102)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N4O3S/c16-10-7-11(17)14(25(18,23)24)8-12(10)19-15(22)20-21-6-5-9-3-1-2-4-13(9)21/h1-8H,(H2,18,23,24)(H2,19,20,22)
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84n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019538
PNG
(CHEMBL3291106)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl3N4O3S2/c15-7-1-3-8(4-2-7)19-14(25)21-20-13(22)9-5-12(26(18,23)24)11(17)6-10(9)16/h1-6H,(H,20,22)(H2,18,23,24)(H2,19,21,25)
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87n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


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


(Homo sapiens (Human))
BDBM50019536
PNG
(CHEMBL3291104)
Show SMILES NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N4O5S/c20-13-8-14(21)18(31(22,27)28)9-15(13)23-19(26)25-5-3-24(4-6-25)10-12-1-2-16-17(7-12)30-11-29-16/h1-2,7-9H,3-6,10-11H2,(H,23,26)(H2,22,27,28)
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95n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


(Homo sapiens (Human))
BDBM50019535
PNG
(CHEMBL3291103)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)
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115n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019537
PNG
(CHEMBL3291105)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O3S2/c15-10-7-11(16)12(25(17,22)23)6-9(10)13(21)19-20-14(24)18-8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,22,23)(H2,18,20,24)
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123n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019536
PNG
(CHEMBL3291104)
Show SMILES NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N4O5S/c20-13-8-14(21)18(31(22,27)28)9-15(13)23-19(26)25-5-3-24(4-6-25)10-12-1-2-16-17(7-12)30-11-29-16/h1-2,7-9H,3-6,10-11H2,(H,23,26)(H2,22,27,28)
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164n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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349n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019583
PNG
(CHEMBL3291092)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H9Cl2N3O3S/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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568n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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573n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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643n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019584
PNG
(CHEMBL3291093)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H8Cl3N3O3S/c15-8-3-1-7(2-4-8)13-19-20-14(23-13)9-5-12(24(18,21)22)11(17)6-10(9)16/h1-6H,(H2,18,21,22)
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671n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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718n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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780n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019532
PNG
(CHEMBL3291100)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NOCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O4S/c15-10-6-11(16)13(24(17,21)22)7-12(10)18-14(20)19-23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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934n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019531
PNG
(CHEMBL3291099)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3O3S/c15-10-6-11(16)13(23(17,21)22)7-12(10)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,21,22)(H2,18,19,20)
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1.17E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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1.18E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
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 cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019533
PNG
(CHEMBL3291101)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O4S/c15-9-6-10(16)12(25(17,23)24)7-11(9)18-14(22)20-19-13(21)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,23,24)(H2,18,20,22)
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1.26E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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1.32E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019579
PNG
(CHEMBL3291088)
Show SMILES NS(=O)(=O)c1cc(-c2nnc([nH]2)-c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O2S/c15-10-7-11(16)12(23(17,21)22)6-9(10)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H,(H2,17,21,22)(H,18,19,20)
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1.35E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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2.34E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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2.34E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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2.40E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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2.75E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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3.03E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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3.20E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019581
PNG
(CHEMBL3291090)
Show SMILES NS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3)o2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H10Cl2N4O3S/c15-10-7-11(16)12(24(17,21)22)6-9(10)13-19-20-14(23-13)18-8-4-2-1-3-5-8/h1-7H,(H,18,20)(H2,17,21,22)
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3.20E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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3.47E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019534
PNG
(CHEMBL3291102)
Show SMILES NS(=O)(=O)c1cc(NC(=O)Nn2ccc3ccccc23)c(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N4O3S/c16-10-7-11(17)14(25(18,23)24)8-12(10)19-15(22)20-21-6-5-9-3-1-2-4-13(9)21/h1-8H,(H2,18,23,24)(H2,19,20,22)
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5.43E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019538
PNG
(CHEMBL3291106)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl3N4O3S2/c15-7-1-3-8(4-2-7)19-14(25)21-20-13(22)9-5-12(26(18,23)24)11(17)6-10(9)16/h1-6H,(H,20,22)(H2,18,23,24)(H2,19,21,25)
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5.49E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019537
PNG
(CHEMBL3291105)
Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H12Cl2N4O3S2/c15-10-7-11(16)12(25(17,22)23)6-9(10)13(21)19-20-14(24)18-8-4-2-1-3-5-8/h1-7H,(H,19,21)(H2,17,22,23)(H2,18,20,24)
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6.23E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019535
PNG
(CHEMBL3291103)
Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl
Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)
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6.40E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019539
PNG
(CHEMBL3291107)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C15H14Cl2N4O6S2/c1-8-2-4-9(5-3-8)29(26,27)21-15(23)20-19-14(22)10-6-13(28(18,24)25)12(17)7-11(10)16/h2-7H,1H3,(H,19,22)(H2,18,24,25)(H2,20,21,23)
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7.20E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019536
PNG
(CHEMBL3291104)
Show SMILES NS(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N4O5S/c20-13-8-14(21)18(31(22,27)28)9-15(13)23-19(26)25-5-3-24(4-6-25)10-12-1-2-16-17(7-12)30-11-29-16/h1-2,7-9H,3-6,10-11H2,(H,23,26)(H2,22,27,28)
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7.36E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


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


Article DOI: 10.1016/j.ejmech.2014.05.039
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%