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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50045520   
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))
BDBM50066126
PNG
(CHEMBL3402966)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N2O5S/c14-21(18,19)13-7-5-12(6-8-13)20-9-10-1-3-11(4-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)
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0.720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
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0.75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
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0.860n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066121
PNG
(CHEMBL3402971)
Show SMILES NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1
Show InChI InChI=1S/C14H12N2O3S2/c15-21(17,18)14-16-12-7-6-11(8-13(12)20-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,17,18)
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0.890n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066126
PNG
(CHEMBL3402966)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N2O5S/c14-21(18,19)13-7-5-12(6-8-13)20-9-10-1-3-11(4-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)
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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066125
PNG
(CHEMBL3402967)
Show SMILES NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO3S/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066126
PNG
(CHEMBL3402966)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N2O5S/c14-21(18,19)13-7-5-12(6-8-13)20-9-10-1-3-11(4-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50066126
PNG
(CHEMBL3402966)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N2O5S/c14-21(18,19)13-7-5-12(6-8-13)20-9-10-1-3-11(4-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066131
PNG
(CHEMBL3402961)
Show SMILES NS(=O)(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C9H9NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066125
PNG
(CHEMBL3402967)
Show SMILES NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO3S/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066121
PNG
(CHEMBL3402971)
Show SMILES NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1
Show InChI InChI=1S/C14H12N2O3S2/c15-21(17,18)14-16-12-7-6-11(8-13(12)20-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,17,18)
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066127
PNG
(CHEMBL3402965)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H12BrNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066119
PNG
(CHEMBL3402974)
Show SMILES NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18)
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4.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066118
PNG
(CHEMBL3402973)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC#C)CC#C
Show InChI InChI=1S/C12H12N2O2S/c1-3-9-14(10-4-2)11-5-7-12(8-6-11)17(13,15)16/h1-2,5-8H,9-10H2,(H2,13,15,16)
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066120
PNG
(CHEMBL3402972)
Show SMILES NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1
Show InChI InChI=1S/C16H12N2O3S2/c17-23(19,20)16-18-14-9-8-13(11-15(14)22-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,10H2,(H2,17,19,20)
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6.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066127
PNG
(CHEMBL3402965)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H12BrNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
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6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066132
PNG
(CHEMBL3402960)
Show SMILES NS(=O)(=O)c1ccc(OCC=C)cc1
Show InChI InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
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6.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066119
PNG
(CHEMBL3402974)
Show SMILES NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18)
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6.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50066133
PNG
(CHEMBL1338403)
Show SMILES CCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066129
PNG
(CHEMBL3402963)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
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7.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50066121
PNG
(CHEMBL3402971)
Show SMILES NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1
Show InChI InChI=1S/C14H12N2O3S2/c15-21(17,18)14-16-12-7-6-11(8-13(12)20-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,17,18)
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7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066121
PNG
(CHEMBL3402971)
Show SMILES NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1
Show InChI InChI=1S/C14H12N2O3S2/c15-21(17,18)14-16-12-7-6-11(8-13(12)20-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,17,18)
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7.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50066125
PNG
(CHEMBL3402967)
Show SMILES NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO3S/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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7.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066134
PNG
(CHEMBL3402959)
Show SMILES CCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066129
PNG
(CHEMBL3402963)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066135
PNG
(CHEMBL3402958)
Show SMILES CCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
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8.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066131
PNG
(CHEMBL3402961)
Show SMILES NS(=O)(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C9H9NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066119
PNG
(CHEMBL3402974)
Show SMILES NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066130
PNG
(CHEMBL3402962)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C13H13NO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066133
PNG
(CHEMBL1338403)
Show SMILES CCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066118
PNG
(CHEMBL3402973)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC#C)CC#C
Show InChI InChI=1S/C12H12N2O2S/c1-3-9-14(10-4-2)11-5-7-12(8-6-11)17(13,15)16/h1-2,5-8H,9-10H2,(H2,13,15,16)
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8.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066127
PNG
(CHEMBL3402965)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H12BrNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066128
PNG
(CHEMBL3402964)
Show SMILES NS(=O)(=O)c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5NO3S/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-6-1-3-7(4-2-6)23(19,20)21/h1-4H,5H2,(H2,19,20,21)
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066118
PNG
(CHEMBL3402973)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC#C)CC#C
Show InChI InChI=1S/C12H12N2O2S/c1-3-9-14(10-4-2)11-5-7-12(8-6-11)17(13,15)16/h1-2,5-8H,9-10H2,(H2,13,15,16)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50066119
PNG
(CHEMBL3402974)
Show SMILES NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O3S/c11-10(12,13)9(16)15-4-3-6-5-7(19(14,17)18)1-2-8(6)15/h1-2,5H,3-4H2,(H2,14,17,18)
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9.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066125
PNG
(CHEMBL3402967)
Show SMILES NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO3S/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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9.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066135
PNG
(CHEMBL3402958)
Show SMILES CCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
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9.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066131
PNG
(CHEMBL3402961)
Show SMILES NS(=O)(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C9H9NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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9.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066129
PNG
(CHEMBL3402963)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
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9.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066133
PNG
(CHEMBL1338403)
Show SMILES CCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
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9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066132
PNG
(CHEMBL3402960)
Show SMILES NS(=O)(=O)c1ccc(OCC=C)cc1
Show InChI InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
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9.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066120
PNG
(CHEMBL3402972)
Show SMILES NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1
Show InChI InChI=1S/C16H12N2O3S2/c17-23(19,20)16-18-14-9-8-13(11-15(14)22-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,10H2,(H2,17,19,20)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50066133
PNG
(CHEMBL1338403)
Show SMILES CCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50066134
PNG
(CHEMBL3402959)
Show SMILES CCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066122
PNG
(CHEMBL3402970)
Show SMILES NS(=O)(=O)c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C12H18N2O4S/c13-19(15,16)12-3-1-11(2-4-12)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H2,13,15,16)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50066130
PNG
(CHEMBL3402962)
Show SMILES NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C13H13NO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50066132
PNG
(CHEMBL3402960)
Show SMILES NS(=O)(=O)c1ccc(OCC=C)cc1
Show InChI InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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