Compile Data Set for Download or QSAR

PubMed code 31136893

Found 176 hits of Enzyme Inhibition Constant Data   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513286(CHEMBL4470319)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1
Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)
Affinity DataKi:  0.200nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513289(CHEMBL4435918)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513283(CHEMBL4534829)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C19H26N4O5S/c1-13-3-2-9-19(11-13)17(25)23(18(26)22-19)12-16(24)21-10-8-14-4-6-15(7-5-14)29(20,27)28/h4-7,13H,2-3,8-12H2,1H3,(H,21,24)(H,22,26)(H2,20,27,28)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513291(CHEMBL4448793)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc([Se]Cc3ccc(cc3)S(N)(=O)=O)cc1)C2=O
Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513285(CHEMBL4553772)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H26N4O5S/c20-29(27,28)15-7-5-14(6-8-15)9-12-21-16(24)13-23-17(25)19(22-18(23)26)10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,21,24)(H,22,26)(H2,20,27,28)
Affinity DataKi:  0.710nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513293(CHEMBL4471521)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  0.800nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513289(CHEMBL4435918)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)
Affinity DataKi:  0.800nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513282(CHEMBL4473062)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  0.800nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513282(CHEMBL4473062)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  1.20nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513292(CHEMBL4541654)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Affinity DataKi:  1.30nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513290(CHEMBL4444589)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513293(CHEMBL4471521)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

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:  2.5nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513293(CHEMBL4471521)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  2.60nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513283(CHEMBL4534829)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCCc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C19H26N4O5S/c1-13-3-2-9-19(11-13)17(25)23(18(26)22-19)12-16(24)21-10-8-14-4-6-15(7-5-14)29(20,27)28/h4-7,13H,2-3,8-12H2,1H3,(H,21,24)(H,22,26)(H2,20,27,28)
Affinity DataKi:  3nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513292(CHEMBL4541654)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Affinity DataKi:  3.10nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513286(CHEMBL4470319)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1
Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513292(CHEMBL4541654)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513294(CHEMBL4519699)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)(H2,19,26,27)
Affinity DataKi:  3.5nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513290(CHEMBL4444589)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Affinity DataKi:  3.60nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513294(CHEMBL4519699)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)(H2,19,26,27)
Affinity DataKi:  3.70nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513286(CHEMBL4470319)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1
Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)
Affinity DataKi:  4.10nMAssay Description:Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513282(CHEMBL4473062)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  4.30nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513295(CHEMBL4592146)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)
Affinity DataKi:  4.40nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513291(CHEMBL4448793)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc([Se]Cc3ccc(cc3)S(N)(=O)=O)cc1)C2=O
Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)
Affinity DataKi:  4.70nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513287(CHEMBL4464229)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCCC4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H28N4O5SSe/c25-34(32,33)19-9-5-17(6-10-19)16-35-20-11-7-18(8-12-20)26-21(29)15-28-22(30)24(27-23(28)31)13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,26,29)(H,27,31)(H2,25,32,33)
Affinity DataKi:  4.70nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513284(CHEMBL4473622)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  4.70nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513285(CHEMBL4553772)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H26N4O5S/c20-29(27,28)15-7-5-14(6-8-15)9-12-21-16(24)13-23-17(25)19(22-18(23)26)10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,21,24)(H,22,26)(H2,20,27,28)
Affinity DataKi:  5.10nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513288(CHEMBL4443862)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-6-4-12(5-7-13)10-19-14(22)11-21-15(23)17(20-16(21)24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  5.40nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University of Florence

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:  5.70nMAssay Description:Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513284(CHEMBL4473622)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  6.20nMAssay Description:Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513287(CHEMBL4464229)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCCC4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H28N4O5SSe/c25-34(32,33)19-9-5-17(6-10-19)16-35-20-11-7-18(8-12-20)26-21(29)15-28-22(30)24(27-23(28)31)13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,26,29)(H,27,31)(H2,25,32,33)
Affinity DataKi:  6.40nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 7(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513296(CHEMBL4441613)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-6-4-13(5-7-14)8-11-20-15(23)12-22-16(24)18(21-17(22)25)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,20,23)(H,21,25)(H2,19,26,27)
Affinity DataKi:  6.90nMAssay Description:Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513284(CHEMBL4473622)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-5-3-12(4-6-13)7-10-19-14(22)11-21-15(23)17(20-16(21)24)8-1-2-9-17/h3-6H,1-2,7-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  6.90nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513296(CHEMBL4441613)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C18H24N4O5S/c19-28(26,27)14-6-4-13(5-7-14)8-11-20-15(23)12-22-16(24)18(21-17(22)25)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,20,23)(H,21,25)(H2,19,26,27)
Affinity DataKi:  7.10nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513292(CHEMBL4541654)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Affinity DataKi:  7.5nMAssay Description:Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513295(CHEMBL4592146)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)
Affinity DataKi:  8.30nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513291(CHEMBL4448793)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc([Se]Cc3ccc(cc3)S(N)(=O)=O)cc1)C2=O
Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)
Affinity DataKi:  8.60nMAssay Description:Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513290(CHEMBL4444589)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C16H20N4O5S/c17-26(24,25)12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)(H2,17,24,25)
Affinity DataKi:  9.60nMAssay Description:Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 6(Homo sapiens (Human))
University of Florence

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:  11nMAssay Description:Inhibition of human carbonic anhydrase 6 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

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:  12nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513289(CHEMBL4435918)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
Show InChI InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24)
Affinity DataKi:  12nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 13(Homo sapiens (Human))
University of Florence

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:  17nMAssay Description:Inhibition of human carbonic anhydrase 13 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513291(CHEMBL4448793)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc([Se]Cc3ccc(cc3)S(N)(=O)=O)cc1)C2=O
Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)
Affinity DataKi:  18nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513286(CHEMBL4470319)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1
Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)
Affinity DataKi:  20nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513288(CHEMBL4443862)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Show InChI InChI=1S/C17H22N4O5S/c18-27(25,26)13-6-4-12(5-7-13)10-19-14(22)11-21-15(23)17(20-16(21)24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
Affinity DataKi:  21nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513287(CHEMBL4464229)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCCC4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H28N4O5SSe/c25-34(32,33)19-9-5-17(6-10-19)16-35-20-11-7-18(8-12-20)26-21(29)15-28-22(30)24(27-23(28)31)13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,26,29)(H,27,31)(H2,25,32,33)
Affinity DataKi:  23nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

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:  26nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513285(CHEMBL4553772)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H26N4O5S/c20-29(27,28)15-7-5-14(6-8-15)9-12-21-16(24)13-23-17(25)19(22-18(23)26)10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,21,24)(H,22,26)(H2,20,27,28)
Affinity DataKi:  33nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50513295(CHEMBL4592146)
Show SMILES CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(cc1)S(N)(=O)=O)C2=O
Show InChI InChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)
Affinity DataKi:  33nMAssay Description:Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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