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Compile Data Set for Download or QSAR

Found 46578 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423789
PNG
(4-Pentyl-Benzenesulfonamide | 4-Pentylbenzenesulfo...)
Show SMILES CCCCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14)
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0.000800n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423789
PNG
(4-Pentyl-Benzenesulfonamide | 4-Pentylbenzenesulfo...)
Show SMILES CCCCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14)
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0.000800n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423788
PNG
(4-Butyl-Benzenesulfonamide | 4-Butylbenzenesulfona...)
Show SMILES CCCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
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0.00500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423788
PNG
(4-Butyl-Benzenesulfonamide | 4-Butylbenzenesulfona...)
Show SMILES CCCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
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0.00500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114862
PNG
(CHEMBL3608874)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H15N3O5S/c15-23(19,20)11-3-1-10(2-4-11)12-9-16-13(22-12)14(18)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H2,15,19,20)
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0.00800n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114861
PNG
(CHEMBL3608873)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20)
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0.00900n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114846
PNG
(CHEMBL3608883)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H17N3O5S/c1-22-11-5-4-10(8-13(11)24(16,20)21)12-9-17-14(23-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114862
PNG
(CHEMBL3608874)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H15N3O5S/c15-23(19,20)11-3-1-10(2-4-11)12-9-16-13(22-12)14(18)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H2,15,19,20)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114859
PNG
(CHEMBL3608871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
Show InChI InChI=1S/C12H12N2O3S/c13-18(15,16)10-5-3-8(4-6-10)11-7-14-12(17-11)9-1-2-9/h3-7,9H,1-2H2,(H2,13,15,16)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114869
PNG
(CHEMBL3608881)
Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114861
PNG
(CHEMBL3608873)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114850
PNG
(CHEMBL3608887)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C11H12N2O3S2/c12-18(14,15)10-5-4-9(17-10)8-6-13-11(16-8)7-2-1-3-7/h4-7H,1-3H2,(H2,12,14,15)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114851
PNG
(CHEMBL3608888)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C12H13N3O4S2/c13-21(17,18)10-4-3-9(20-10)8-7-14-11(19-8)12(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H2,13,17,18)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114853
PNG
(CHEMBL3608890)
Show SMILES Cc1ncc(o1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2O3S2/c1-5-10-3-7(13-5)6-2-8(14-4-6)15(9,11)12/h2-4H,1H3,(H2,9,11,12)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114855
PNG
(CHEMBL3608892)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C11H12N2O3S2/c12-18(14,15)10-4-8(6-17-10)9-5-13-11(16-9)7-2-1-3-7/h4-7H,1-3H2,(H2,12,14,15)
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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
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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0.0120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method


Bioorg Med Chem 24: 104-12 (2016)


Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114860
PNG
(CHEMBL3608872)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
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0.0200n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114856
PNG
(CHEMBL3608893)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C(=O)N1CCCC1
Show InChI InChI=1S/C12H13N3O4S2/c13-21(17,18)10-5-8(7-20-10)9-6-14-11(19-9)12(16)15-3-1-2-4-15/h5-7H,1-4H2,(H2,13,17,18)
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0.0200n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114852
PNG
(CHEMBL3608889)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-2-1-9(21-10)8-7-14-11(20-8)12(16)15-3-5-19-6-4-15/h1-2,7H,3-6H2,(H2,13,17,18)
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0.0200n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50523342
PNG
(CHEMBL4527427)
Show SMILES Cc1nn(-c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H2,16,20,21)
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0.0300n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay


Eur J Med Chem 168: 301-314 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.044
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423787
PNG
(4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...)
Show SMILES CCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
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0.0300n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50423787
PNG
(4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...)
Show SMILES CCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
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0.0300n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114857
PNG
(CHEMBL3608894)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-5-8(7-21-10)9-6-14-11(20-9)12(16)15-1-3-19-4-2-15/h5-7H,1-4H2,(H2,13,17,18)
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0.0300n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50508839
PNG
(CHEMBL4579554)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1
Show InChI InChI=1S/C17H18BrN3O5S/c18-14-9-12(3-6-16(14)22)10-15(21-24)17(23)20-8-7-11-1-4-13(5-2-11)27(19,25)26/h1-6,9,22,24H,7-8,10H2,(H,20,23)(H2,19,25,26)/b21-15+
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0.0400n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay


J Med Chem 62: 4174-4192 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00282
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50508875
PNG
(CHEMBL4449193)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1
Show InChI InChI=1S/C17H19N3O5S/c18-26(24,25)15-7-3-12(4-8-15)9-10-19-17(22)16(20-23)11-13-1-5-14(21)6-2-13/h1-8,21,23H,9-11H2,(H,19,22)(H2,18,24,25)/b20-16+
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0.0500n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay


J Med Chem 62: 4174-4192 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00282
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114853
PNG
(CHEMBL3608890)
Show SMILES Cc1ncc(o1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2O3S2/c1-5-10-3-7(13-5)6-2-8(14-4-6)15(9,11)12/h2-4H,1H3,(H2,9,11,12)
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0.0500n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
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0.0500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114847
PNG
(CHEMBL3608884)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O6S/c1-22-11-3-2-10(8-13(11)25(16,20)21)12-9-17-14(24-12)15(19)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
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0.0500n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
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0.0500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114858
PNG
(CHEMBL3608870)
Show SMILES Cc1ncc(o1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
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0.0500n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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0.0600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method


Bioorg Med Chem 24: 104-12 (2016)


Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50523332
PNG
(CHEMBL4569531)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(N2CCCCCC2)c(Cl)c1=O
Show InChI InChI=1S/C16H19ClN4O3S/c17-15-14(20-9-3-1-2-4-10-20)11-19-21(16(15)22)12-5-7-13(8-6-12)25(18,23)24/h5-8,11H,1-4,9-10H2,(H2,18,23,24)
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0.0600n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay


Eur J Med Chem 168: 301-314 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.044
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50106422
PNG
(CHEMBL3601892)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1
Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19-
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0.0700n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem Lett 25: 3281-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.076
BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50523339
PNG
(CHEMBL4542010)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(N2CCOCC2)c(Cl)c1=O
Show InChI InChI=1S/C14H15ClN4O4S/c15-13-12(18-5-7-23-8-6-18)9-17-19(14(13)20)10-1-3-11(4-2-10)24(16,21)22/h1-4,9H,5-8H2,(H2,16,21,22)
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0.0700n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay


Eur J Med Chem 168: 301-314 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.044
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50523348
PNG
(CHEMBL4519564)
Show SMILES COc1ccc(cc1)C1=NN(C(=O)CC1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-24-14-6-2-12(3-7-14)16-10-11-17(21)20(19-16)13-4-8-15(9-5-13)25(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)
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0.0800n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay


Eur J Med Chem 168: 301-314 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.044
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50523344
PNG
(CHEMBL4566532)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(cc1=O)N1CCCCCC1
Show InChI InChI=1S/C16H20N4O3S/c17-24(22,23)15-7-5-13(6-8-15)20-16(21)11-14(12-18-20)19-9-3-1-2-4-10-19/h5-8,11-12H,1-4,9-10H2,(H2,17,22,23)
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0.0800n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay


Eur J Med Chem 168: 301-314 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.044
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11422
PNG
(2-(3,4-Dimethoxyphenyl)-3-[(4-morpholinyl)methyl]-...)
Show SMILES COc1ccc(cc1OC)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C19H23N3O7S3/c1-27-16-4-3-14(11-17(16)28-2)22-15(12-21-5-7-29-8-6-21)9-13-10-18(31(20,23)24)30-19(13)32(22,25)26/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,23,24)
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0.0800n/an/an/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50508846
PNG
(CHEMBL4434814)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1
Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+
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0.0800n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay


J Med Chem 62: 4174-4192 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00282
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11404
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCCN(CCOC)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C15H25N3O6S3/c1-17-13(11-18(6-8-24-3)5-4-7-23-2)9-12-10-14(26(16,19)20)25-15(12)27(17,21)22/h9-10H,4-8,11H2,1-3H3,(H2,16,19,20)
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0.0800 -59.9n/an/an/an/an/a7.437



Alcon Research Ltd



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50531530
PNG
(CHEMBL4590200)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C9H9N3O3S2/c10-17(13,14)7-3-6(4-16-7)9-11-8(12-15-9)5-1-2-5/h3-5H,1-2H2,(H2,10,13,14)
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0.0890n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114857
PNG
(CHEMBL3608894)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-5-8(7-21-10)9-6-14-11(20-9)12(16)15-1-3-19-4-2-15/h5-7H,1-4H2,(H2,13,17,18)
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0.0900n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50523338
PNG
(CHEMBL4563416)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(NCc2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C17H15ClN4O3S/c18-16-15(20-10-12-4-2-1-3-5-12)11-21-22(17(16)23)13-6-8-14(9-7-13)26(19,24)25/h1-9,11,20H,10H2,(H2,19,24,25)
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0.0900n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay


Eur J Med Chem 168: 301-314 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.044
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11408
PNG
(1,1-dioxo-3-[(prop-2-yn-1-ylamino)methyl]-2-propyl...)
Show SMILES CCCN1C(CNCC#C)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H17N3O4S3/c1-3-5-15-9-11-7-10-8-12(22(14,17)18)21-13(10)23(19,20)16(11)6-4-2/h1,7-8,15H,4-6,9H2,2H3,(H2,14,17,18)
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0.100n/an/an/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11399
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCN(CC=C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C14H21N3O5S3/c1-4-5-17(6-7-22-3)10-12-8-11-9-13(24(15,18)19)23-14(11)25(20,21)16(12)2/h4,8-9H,1,5-7,10H2,2-3H3,(H2,15,18,19)
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0.100 -59.4n/an/an/an/an/a7.437



Alcon Research Ltd



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11421
PNG
(2-(3-Methoxyphenyl)-3-[(2-hydroxyethylamino)methyl...)
Show SMILES COc1cccc(c1)N1C(CNCCO)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O6S3/c1-25-14-4-2-3-12(9-14)19-13(10-18-5-6-20)7-11-8-15(27(17,21)22)26-16(11)28(19,23)24/h2-4,7-9,18,20H,5-6,10H2,1H3,(H2,17,21,22)
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0.110n/an/an/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11419
PNG
(2-[(4-Methoxyphenyl)methyl]-3-[(4-morpholinyl)meth...)
Show SMILES COc1ccc(CN2C(CN3CCOCC3)=Cc3cc(sc3S2(=O)=O)S(N)(=O)=O)cc1
Show InChI InChI=1S/C19H23N3O6S3/c1-27-17-4-2-14(3-5-17)12-22-16(13-21-6-8-28-9-7-21)10-15-11-18(30(20,23)24)29-19(15)31(22,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,20,23,24)
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0.110n/an/an/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252992
PNG
(CHEMBL4100496)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+
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0.120n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweave...


Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
BindingDB Entry DOI: 10.7270/Q28G8P41
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252993
PNG
(CHEMBL4073678)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+
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0.120n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Linew...


Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
BindingDB Entry DOI: 10.7270/Q28G8P41
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11423
PNG
(2-[(4-Morpholinyl)phenyl]-3-[(4-morpholinyl)methyl...)
Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3ccc(cc3)N3CCOCC3)S(=O)(=O)c2s1
Show InChI InChI=1S/C21H26N4O6S3/c22-33(26,27)20-14-16-13-19(15-23-5-9-30-10-6-23)25(34(28,29)21(16)32-20)18-3-1-17(2-4-18)24-7-11-31-12-8-24/h1-4,13-14H,5-12,15H2,(H2,22,26,27)
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0.120n/an/an/an/an/an/an/an/a



Alcon Research Ltd



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/s0968-0896(00)00026-2
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153970
PNG
(4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1
Show InChI InChI=1S/C13H17N5O4S/c1-3-21-12-16-11(17-13(18-12)22-4-2)15-9-5-7-10(8-6-9)23(14,19)20/h5-8H,3-4H2,1-2H3,(H2,14,19,20)(H,15,16,17,18)
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0.120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.087
BindingDB Entry DOI: 10.7270/Q2XD12DQ
More data for this
Ligand-Target Pair
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