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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50033855   
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 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/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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4.90n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
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/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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7.70n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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8.40n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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8.60n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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9.10n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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10.2n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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10.5n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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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11n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
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/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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12.1n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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14.6n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(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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17n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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18.5n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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19.4n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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21.5n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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24n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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25n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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25.3n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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34.9n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(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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41n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 5B, mitochondrial


(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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54n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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60.2n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(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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63n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(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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74n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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91.7n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
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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132n/an/an/an/an/an/a8.3n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans carbonic anhydrase preincubated for 15 mins at pH 8.3 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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236n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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250n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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279n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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280n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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310n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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311n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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321n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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347n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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413n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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427n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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463n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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512n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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513n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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515n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50352644
PNG
(CHEMBL1822700)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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543n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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692n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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714n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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814n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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955n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50352643
PNG
(CHEMBL1822699)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)24-15-19-29-31(21-24)42-32-22-25(37(7-3)8-4)16-20-30(32)34(29)28-12-10-9-11-27(28)33(39)38(34)23-13-17-26(18-14-23)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)
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980n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50352645
PNG
(CHEMBL1822701)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C35H38N4O4S/c1-5-37(6-2)25-15-19-30-32(21-25)43-33-22-26(38(7-3)8-4)16-20-31(33)35(30)29-12-10-9-11-28(29)34(40)39(35)23-24-13-17-27(18-14-24)44(36,41)42/h9-22H,5-8,23H2,1-4H3,(H2,36,41,42)
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980n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50352646
PNG
(CHEMBL1822702)
Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c3ccccc23)N(CC)CC)c1
Show InChI InChI=1S/C36H40N4O4S/c1-5-38(6-2)26-15-19-31-33(23-26)44-34-24-27(39(7-3)8-4)16-20-32(34)36(31)30-12-10-9-11-29(30)35(41)40(36)22-21-25-13-17-28(18-14-25)45(37,42)43/h9-20,23-24H,5-8,21-22H2,1-4H3,(H2,37,42,43)
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996n/an/an/an/an/an/a7.5n/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 21: 5210-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.045
BindingDB Entry DOI: 10.7270/Q2XP75B3
More data for this
Ligand-Target Pair
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