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PubMed code 22041171

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 9


(Homo sapiens (Human))
BDBM50358924
PNG
(CHEMBL1923681)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)
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5n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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5.10n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358923
PNG
(CHEMBL1923680)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-5-6-15-11(10-14)7-8-18(25(17,22)23)16(15)12-3-2-4-13(9-12)19(20)21/h2-6,9-10,16H,7-8H2,1H3,(H2,17,22,23)
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6.30n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358921
PNG
(CHEMBL1923678)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H17FN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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6.80n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358920
PNG
(CHEMBL1923677)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H17N3O3S/c1-23-15-6-7-16-14(10-15)8-9-20(24(19,21)22)17(16)13-4-2-12(11-18)3-5-13/h2-7,10,17H,8-9H2,1H3,(H2,19,21,22)
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7n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358925
PNG
(CHEMBL1923682)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(N)c1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-5-6-15-11(10-14)7-8-19(23(18,20)21)16(15)12-3-2-4-13(17)9-12/h2-6,9-10,16H,7-8,17H2,1H3,(H2,18,20,21)
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7.10n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358922
PNG
(CHEMBL1923679)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N2O3S/c1-12-3-5-13(6-4-12)17-16-8-7-15(22-2)11-14(16)9-10-19(17)23(18,20)21/h3-8,11,17H,9-10H2,1-2H3,(H2,18,20,21)
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7.5n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358922
PNG
(CHEMBL1923679)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N2O3S/c1-12-3-5-13(6-4-12)17-16-8-7-15(22-2)11-14(16)9-10-19(17)23(18,20)21/h3-8,11,17H,9-10H2,1-2H3,(H2,18,20,21)
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7.70n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358917
PNG
(CHEMBL1923674)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C16H18N2O3S/c1-21-14-7-8-15-13(11-14)9-10-18(22(17,19)20)16(15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3,(H2,17,19,20)
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7.90n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358918
PNG
(CHEMBL1923675)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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8.30n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358926
PNG
(CHEMBL1923683)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9,17H2,1H3,(H2,18,20,21)
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8.60n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358924
PNG
(CHEMBL1923681)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)
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9.5n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358926
PNG
(CHEMBL1923683)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9,17H2,1H3,(H2,18,20,21)
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12n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358923
PNG
(CHEMBL1923680)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-5-6-15-11(10-14)7-8-18(25(17,22)23)16(15)12-3-2-4-13(9-12)19(20)21/h2-6,9-10,16H,7-8H2,1H3,(H2,17,22,23)
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16n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358925
PNG
(CHEMBL1923682)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(N)c1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-5-6-15-11(10-14)7-8-19(23(18,20)21)16(15)12-3-2-4-13(17)9-12/h2-6,9-10,16H,7-8,17H2,1H3,(H2,18,20,21)
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18n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358920
PNG
(CHEMBL1923677)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H17N3O3S/c1-23-15-6-7-16-14(10-15)8-9-20(24(19,21)22)17(16)13-4-2-12(11-18)3-5-13/h2-7,10,17H,8-9H2,1H3,(H2,19,21,22)
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19.8n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358919
PNG
(CHEMBL1923676)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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21.8n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358921
PNG
(CHEMBL1923678)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H17FN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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31n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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35n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50358919
PNG
(CHEMBL1923676)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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53.9n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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56n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358918
PNG
(CHEMBL1923675)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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60.7n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50358917
PNG
(CHEMBL1923674)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C16H18N2O3S/c1-21-14-7-8-15-13(11-14)9-10-18(22(17,19)20)16(15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3,(H2,17,19,20)
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78n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358922
PNG
(CHEMBL1923679)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N2O3S/c1-12-3-5-13(6-4-12)17-16-8-7-15(22-2)11-14(16)9-10-19(17)23(18,20)21/h3-8,11,17H,9-10H2,1-2H3,(H2,18,20,21)
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88n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358920
PNG
(CHEMBL1923677)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H17N3O3S/c1-23-15-6-7-16-14(10-15)8-9-20(24(19,21)22)17(16)13-4-2-12(11-18)3-5-13/h2-7,10,17H,8-9H2,1H3,(H2,19,21,22)
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91n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358925
PNG
(CHEMBL1923682)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(N)c1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-5-6-15-11(10-14)7-8-19(23(18,20)21)16(15)12-3-2-4-13(17)9-12/h2-6,9-10,16H,7-8,17H2,1H3,(H2,18,20,21)
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99.7n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358919
PNG
(CHEMBL1923676)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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101n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358919
PNG
(CHEMBL1923676)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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104n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358926
PNG
(CHEMBL1923683)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9,17H2,1H3,(H2,18,20,21)
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222n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358923
PNG
(CHEMBL1923680)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-5-6-15-11(10-14)7-8-18(25(17,22)23)16(15)12-3-2-4-13(9-12)19(20)21/h2-6,9-10,16H,7-8H2,1H3,(H2,17,22,23)
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293n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358924
PNG
(CHEMBL1923681)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)
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320n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358917
PNG
(CHEMBL1923674)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C16H18N2O3S/c1-21-14-7-8-15-13(11-14)9-10-18(22(17,19)20)16(15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3,(H2,17,19,20)
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422n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358921
PNG
(CHEMBL1923678)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H17FN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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476n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358922
PNG
(CHEMBL1923679)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H20N2O3S/c1-12-3-5-13(6-4-12)17-16-8-7-15(22-2)11-14(16)9-10-19(17)23(18,20)21/h3-8,11,17H,9-10H2,1-2H3,(H2,18,20,21)
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957n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358920
PNG
(CHEMBL1923677)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H17N3O3S/c1-23-15-6-7-16-14(10-15)8-9-20(24(19,21)22)17(16)13-4-2-12(11-18)3-5-13/h2-7,10,17H,8-9H2,1H3,(H2,19,21,22)
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995n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358923
PNG
(CHEMBL1923680)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-5-6-15-11(10-14)7-8-18(25(17,22)23)16(15)12-3-2-4-13(9-12)19(20)21/h2-6,9-10,16H,7-8H2,1H3,(H2,17,22,23)
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3.51E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50358918
PNG
(CHEMBL1923675)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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4.18E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358918
PNG
(CHEMBL1923675)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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4.79E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358926
PNG
(CHEMBL1923683)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9,17H2,1H3,(H2,18,20,21)
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4.79E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358925
PNG
(CHEMBL1923682)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1cccc(N)c1
Show InChI InChI=1S/C16H19N3O3S/c1-22-14-5-6-15-11(10-14)7-8-19(23(18,20)21)16(15)12-3-2-4-13(17)9-12/h2-6,9-10,16H,7-8,17H2,1H3,(H2,18,20,21)
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4.82E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358921
PNG
(CHEMBL1923678)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H17FN2O3S/c1-22-14-6-7-15-12(10-14)8-9-19(23(18,20)21)16(15)11-2-4-13(17)5-3-11/h2-7,10,16H,8-9H2,1H3,(H2,18,20,21)
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5.13E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358924
PNG
(CHEMBL1923681)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)
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5.21E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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5.25E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50358917
PNG
(CHEMBL1923674)
Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C16H18N2O3S/c1-21-14-7-8-15-13(11-14)9-10-18(22(17,19)20)16(15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3,(H2,17,19,20)
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6.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 7003-7 (2011)


Article DOI: 10.1016/j.bmc.2011.10.015
BindingDB Entry DOI: 10.7270/Q2C24WV6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%