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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50046532   
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 7


(Homo sapiens (Human))
BDBM50117671
PNG
(CHEMBL3613775)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
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2.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117677
PNG
(CHEMBL3613778)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)
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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117673
PNG
(CHEMBL3613782)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2cc(O)ccc12
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)14-6-3-11(4-7-14)16(20)18-9-1-2-12-10-13(19)5-8-15(12)18/h3-8,10,19H,1-2,9H2,(H2,17,21,22)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117669
PNG
(CHEMBL3613777)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117669
PNG
(CHEMBL3613777)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117674
PNG
(CHEMBL3613781)
Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)
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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117669
PNG
(CHEMBL3613777)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117670
PNG
(CHEMBL3613776)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)
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5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117670
PNG
(CHEMBL3613776)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)
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6.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117674
PNG
(CHEMBL3613781)
Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117672
PNG
(CHEMBL3613783)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
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6.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117670
PNG
(CHEMBL3613776)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)
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7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
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7.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
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7.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117674
PNG
(CHEMBL3613781)
Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117669
PNG
(CHEMBL3613777)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117672
PNG
(CHEMBL3613783)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
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9.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117672
PNG
(CHEMBL3613783)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
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9.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117677
PNG
(CHEMBL3613778)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)
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9.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
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9.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117671
PNG
(CHEMBL3613775)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117673
PNG
(CHEMBL3613782)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2cc(O)ccc12
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)14-6-3-11(4-7-14)16(20)18-9-1-2-12-10-13(19)5-8-15(12)18/h3-8,10,19H,1-2,9H2,(H2,17,21,22)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117671
PNG
(CHEMBL3613775)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117674
PNG
(CHEMBL3613781)
Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117677
PNG
(CHEMBL3613778)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117677
PNG
(CHEMBL3613778)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)
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29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117671
PNG
(CHEMBL3613775)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)
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31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117672
PNG
(CHEMBL3613783)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
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39n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117670
PNG
(CHEMBL3613776)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)
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40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117673
PNG
(CHEMBL3613782)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2cc(O)ccc12
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)14-6-3-11(4-7-14)16(20)18-9-1-2-12-10-13(19)5-8-15(12)18/h3-8,10,19H,1-2,9H2,(H2,17,21,22)
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42n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117671
PNG
(CHEMBL3613775)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117673
PNG
(CHEMBL3613782)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2cc(O)ccc12
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)14-6-3-11(4-7-14)16(20)18-9-1-2-12-10-13(19)5-8-15(12)18/h3-8,10,19H,1-2,9H2,(H2,17,21,22)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
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61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117673
PNG
(CHEMBL3613782)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2cc(O)ccc12
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)14-6-3-11(4-7-14)16(20)18-9-1-2-12-10-13(19)5-8-15(12)18/h3-8,10,19H,1-2,9H2,(H2,17,21,22)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117677
PNG
(CHEMBL3613778)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-15-5-2-14-11-19(9-8-13(14)10-15)17(20)12-3-6-16(7-4-12)24(18,21)22/h2-7,10H,8-9,11H2,1H3,(H2,18,21,22)
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
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PubMed
76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117672
PNG
(CHEMBL3613783)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
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79n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
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186n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117669
PNG
(CHEMBL3613777)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)
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819n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117670
PNG
(CHEMBL3613776)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)
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878n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117674
PNG
(CHEMBL3613781)
Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair