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PubMed code 25254302

Compile data set for download or QSAR
Found 44 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))
BDBM50028308
PNG
(CHEMBL3342254)
Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/s2
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1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028265
PNG
(CHEMBL3342252)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r|
Show InChI InChI=1/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/s2
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1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028265
PNG
(CHEMBL3342252)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r|
Show InChI InChI=1/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/s2
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2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028271
PNG
(CHEMBL3342257)
Show SMILES NS(=O)(=O)O[C@@H]1CCN(C1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6-,7-,8+,9-,10+/s2
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2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028308
PNG
(CHEMBL3342254)
Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/s2
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2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028279
PNG
(CHEMBL3342255)
Show SMILES NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H26N2O10S2/c13-26(21,22)23-6-4-2-1-3-5-14-25(19,20)12-11(18)10(17)9(16)8(7-15)24-12/h8-12,14-18H,1-7H2,(H2,13,21,22)/t8-,9-,10+,11-,12+/s2
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2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028266
PNG
(CHEMBL3342251)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CC[C@H](C1)OS(N)(=O)=O |r|
Show InChI InChI=1/C18H28N2O14S2/c1-9(21)29-8-14-15(30-10(2)22)16(31-11(3)23)17(32-12(4)24)18(33-14)35(25,26)20-6-5-13(7-20)34-36(19,27)28/h13-18H,5-8H2,1-4H3,(H2,19,27,28)/t13-,14-,15-,16+,17-,18+/s2
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2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028267
PNG
(CHEMBL3342250)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O |r|
Show InChI InChI=1/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/s2
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2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028268
PNG
(CHEMBL3342249)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C20H34N2O14S2/c1-12(23)31-11-16-17(33-13(2)24)18(34-14(3)25)19(35-15(4)26)20(36-16)37(27,28)22-9-7-5-6-8-10-32-38(21,29)30/h16-20,22H,5-11H2,1-4H3,(H2,21,29,30)/t16-,17-,18+,19-,20+/s2
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2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028308
PNG
(CHEMBL3342254)
Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/s2
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5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028266
PNG
(CHEMBL3342251)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CC[C@H](C1)OS(N)(=O)=O |r|
Show InChI InChI=1/C18H28N2O14S2/c1-9(21)29-8-14-15(30-10(2)22)16(31-11(3)23)17(32-12(4)24)18(33-14)35(25,26)20-6-5-13(7-20)34-36(19,27)28/h13-18H,5-8H2,1-4H3,(H2,19,27,28)/t13-,14-,15-,16+,17-,18+/s2
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8n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028268
PNG
(CHEMBL3342249)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C20H34N2O14S2/c1-12(23)31-11-16-17(33-13(2)24)18(34-14(3)25)19(35-15(4)26)20(36-16)37(27,28)22-9-7-5-6-8-10-32-38(21,29)30/h16-20,22H,5-11H2,1-4H3,(H2,21,29,30)/t16-,17-,18+,19-,20+/s2
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9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028270
PNG
(CHEMBL3342247)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCOS(N)(=O)=O |r|
Show InChI InChI=1/C16H26N2O14S2/c1-8(19)27-7-12-13(29-9(2)20)14(30-10(3)21)15(31-11(4)22)16(32-12)33(23,24)18-5-6-28-34(17,25)26/h12-16,18H,5-7H2,1-4H3,(H2,17,25,26)/t12-,13-,14+,15-,16+/s2
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9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028268
PNG
(CHEMBL3342249)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C20H34N2O14S2/c1-12(23)31-11-16-17(33-13(2)24)18(34-14(3)25)19(35-15(4)26)20(36-16)37(27,28)22-9-7-5-6-8-10-32-38(21,29)30/h16-20,22H,5-11H2,1-4H3,(H2,21,29,30)/t16-,17-,18+,19-,20+/s2
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10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028278
PNG
(CHEMBL3342256)
Show SMILES NS(=O)(=O)OC1CCN(CC1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8-,9+,10-,11+/s2
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11n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028279
PNG
(CHEMBL3342255)
Show SMILES NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H26N2O10S2/c13-26(21,22)23-6-4-2-1-3-5-14-25(19,20)12-11(18)10(17)9(16)8(7-15)24-12/h8-12,14-18H,1-7H2,(H2,13,21,22)/t8-,9-,10+,11-,12+/s2
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21n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028271
PNG
(CHEMBL3342257)
Show SMILES NS(=O)(=O)O[C@@H]1CCN(C1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6-,7-,8+,9-,10+/s2
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34n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028267
PNG
(CHEMBL3342250)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O |r|
Show InChI InChI=1/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/s2
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60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028278
PNG
(CHEMBL3342256)
Show SMILES NS(=O)(=O)OC1CCN(CC1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8-,9+,10-,11+/s2
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85n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028264
PNG
(CHEMBL3342253)
Show SMILES COC(=O)[C@H](CS(N)(=O)=O)NS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1/C18H28N2O15S2/c1-8(21)31-6-13-14(32-9(2)22)15(33-10(3)23)16(34-11(4)24)18(35-13)37(28,29)20-12(17(25)30-5)7-36(19,26)27/h12-16,18,20H,6-7H2,1-5H3,(H2,19,26,27)/t12-,13+,14+,15-,16+,18-/s2
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85n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028270
PNG
(CHEMBL3342247)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCOS(N)(=O)=O |r|
Show InChI InChI=1/C16H26N2O14S2/c1-8(19)27-7-12-13(29-9(2)20)14(30-10(3)21)15(31-11(4)22)16(32-12)33(23,24)18-5-6-28-34(17,25)26/h12-16,18H,5-7H2,1-4H3,(H2,17,25,26)/t12-,13-,14+,15-,16+/s2
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94n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028269
PNG
(CHEMBL3342248)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C17H28N2O14S2/c1-9(20)28-8-13-14(30-10(2)21)15(31-11(3)22)16(32-12(4)23)17(33-13)34(24,25)19-6-5-7-29-35(18,26)27/h13-17,19H,5-8H2,1-4H3,(H2,18,26,27)/t13-,14-,15+,16-,17+/s2
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94n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028266
PNG
(CHEMBL3342251)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CC[C@H](C1)OS(N)(=O)=O |r|
Show InChI InChI=1/C18H28N2O14S2/c1-9(21)29-8-14-15(30-10(2)22)16(31-11(3)23)17(32-12(4)24)18(33-14)35(25,26)20-6-5-13(7-20)34-36(19,27)28/h13-18H,5-8H2,1-4H3,(H2,19,27,28)/t13-,14-,15-,16+,17-,18+/s2
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110n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028264
PNG
(CHEMBL3342253)
Show SMILES COC(=O)[C@H](CS(N)(=O)=O)NS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1/C18H28N2O15S2/c1-8(21)31-6-13-14(32-9(2)22)15(33-10(3)23)16(34-11(4)24)18(35-13)37(28,29)20-12(17(25)30-5)7-36(19,26)27/h12-16,18,20H,6-7H2,1-5H3,(H2,19,26,27)/t12-,13+,14+,15-,16+,18-/s2
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115n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028271
PNG
(CHEMBL3342257)
Show SMILES NS(=O)(=O)O[C@@H]1CCN(C1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6-,7-,8+,9-,10+/s2
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185n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028264
PNG
(CHEMBL3342253)
Show SMILES COC(=O)[C@H](CS(N)(=O)=O)NS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1/C18H28N2O15S2/c1-8(21)31-6-13-14(32-9(2)22)15(33-10(3)23)16(34-11(4)24)18(35-13)37(28,29)20-12(17(25)30-5)7-36(19,26)27/h12-16,18,20H,6-7H2,1-5H3,(H2,19,26,27)/t12-,13+,14+,15-,16+,18-/s2
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190n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028270
PNG
(CHEMBL3342247)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCOS(N)(=O)=O |r|
Show InChI InChI=1/C16H26N2O14S2/c1-8(19)27-7-12-13(29-9(2)20)14(30-10(3)21)15(31-11(4)22)16(32-12)33(23,24)18-5-6-28-34(17,25)26/h12-16,18H,5-7H2,1-4H3,(H2,17,25,26)/t12-,13-,14+,15-,16+/s2
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215n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028269
PNG
(CHEMBL3342248)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C17H28N2O14S2/c1-9(20)28-8-13-14(30-10(2)21)15(31-11(3)22)16(32-12(4)23)17(33-13)34(24,25)19-6-5-7-29-35(18,26)27/h13-17,19H,5-8H2,1-4H3,(H2,18,26,27)/t13-,14-,15+,16-,17+/s2
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215n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028267
PNG
(CHEMBL3342250)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O |r|
Show InChI InChI=1/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/s2
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265n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028268
PNG
(CHEMBL3342249)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C20H34N2O14S2/c1-12(23)31-11-16-17(33-13(2)24)18(34-14(3)25)19(35-15(4)26)20(36-16)37(27,28)22-9-7-5-6-8-10-32-38(21,29)30/h16-20,22H,5-11H2,1-4H3,(H2,21,29,30)/t16-,17-,18+,19-,20+/s2
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350n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028269
PNG
(CHEMBL3342248)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C17H28N2O14S2/c1-9(20)28-8-13-14(30-10(2)21)15(31-11(3)22)16(32-12(4)23)17(33-13)34(24,25)19-6-5-7-29-35(18,26)27/h13-17,19H,5-8H2,1-4H3,(H2,18,26,27)/t13-,14-,15+,16-,17+/s2
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525n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028265
PNG
(CHEMBL3342252)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r|
Show InChI InChI=1/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/s2
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725n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028270
PNG
(CHEMBL3342247)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCOS(N)(=O)=O |r|
Show InChI InChI=1/C16H26N2O14S2/c1-8(19)27-7-12-13(29-9(2)20)14(30-10(3)21)15(31-11(4)22)16(32-12)33(23,24)18-5-6-28-34(17,25)26/h12-16,18H,5-7H2,1-4H3,(H2,17,25,26)/t12-,13-,14+,15-,16+/s2
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1.05E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028269
PNG
(CHEMBL3342248)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCOS(N)(=O)=O |r|
Show InChI InChI=1/C17H28N2O14S2/c1-9(20)28-8-13-14(30-10(2)21)15(31-11(3)22)16(32-12(4)23)17(33-13)34(24,25)19-6-5-7-29-35(18,26)27/h13-17,19H,5-8H2,1-4H3,(H2,18,26,27)/t13-,14-,15+,16-,17+/s2
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1.35E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028266
PNG
(CHEMBL3342251)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CC[C@H](C1)OS(N)(=O)=O |r|
Show InChI InChI=1/C18H28N2O14S2/c1-9(21)29-8-14-15(30-10(2)22)16(31-11(3)23)17(32-12(4)24)18(33-14)35(25,26)20-6-5-13(7-20)34-36(19,27)28/h13-18H,5-8H2,1-4H3,(H2,19,27,28)/t13-,14-,15-,16+,17-,18+/s2
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1.55E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028279
PNG
(CHEMBL3342255)
Show SMILES NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H26N2O10S2/c13-26(21,22)23-6-4-2-1-3-5-14-25(19,20)12-11(18)10(17)9(16)8(7-15)24-12/h8-12,14-18H,1-7H2,(H2,13,21,22)/t8-,9-,10+,11-,12+/s2
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2.40E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028267
PNG
(CHEMBL3342250)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O |r|
Show InChI InChI=1/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/s2
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2.40E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028271
PNG
(CHEMBL3342257)
Show SMILES NS(=O)(=O)O[C@@H]1CCN(C1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6-,7-,8+,9-,10+/s2
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2.40E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028279
PNG
(CHEMBL3342255)
Show SMILES NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H26N2O10S2/c13-26(21,22)23-6-4-2-1-3-5-14-25(19,20)12-11(18)10(17)9(16)8(7-15)24-12/h8-12,14-18H,1-7H2,(H2,13,21,22)/t8-,9-,10+,11-,12+/s2
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6.40E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028308
PNG
(CHEMBL3342254)
Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/s2
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9.00E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028265
PNG
(CHEMBL3342252)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r|
Show InChI InChI=1/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/s2
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9.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028264
PNG
(CHEMBL3342253)
Show SMILES COC(=O)[C@H](CS(N)(=O)=O)NS(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1/C18H28N2O15S2/c1-8(21)31-6-13-14(32-9(2)22)15(33-10(3)23)16(34-11(4)24)18(35-13)37(28,29)20-12(17(25)30-5)7-36(19,26)27/h12-16,18,20H,6-7H2,1-5H3,(H2,19,26,27)/t12-,13+,14+,15-,16+,18-/s2
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>2.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028278
PNG
(CHEMBL3342256)
Show SMILES NS(=O)(=O)OC1CCN(CC1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8-,9+,10-,11+/s2
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>2.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028278
PNG
(CHEMBL3342256)
Show SMILES NS(=O)(=O)OC1CCN(CC1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8-,9+,10-,11+/s2
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2.00E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 57: 8635-45 (2014)


Article DOI: 10.1021/jm5012935
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%