Compile Data Set for Download or QSAR

PubMed code 21821413

Found 65 hits of Enzyme Inhibition Constant Data   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  2.5nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  4.90nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  5.70nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  7.70nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  8.40nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  8.60nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  9.10nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  10.2nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  10.5nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  11nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  12nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  12.1nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  14.6nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  17nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  18.5nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  19.4nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  21.5nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  24nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  25nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  25.3nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  34.9nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  41nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  54nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  60.2nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  63nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  74nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 4 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  91.7nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Candida albicans (Yeast))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  132nMpH: 8.3Assay Description:Inhibition of Candida albicans carbonic anhydrase preincubated for 15 mins at pH 8.3 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  236nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  250nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  279nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  280nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  310nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  311nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  321nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  347nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  413nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  427nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  463nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  512nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  513nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  515nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352644(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)
Affinity DataKi:  543nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  692nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  714nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  814nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  955nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352643(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)
Affinity DataKi:  980nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352645(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)
Affinity DataKi:  980nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50352646(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)
Affinity DataKi:  996nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
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