Compile Data Set for Download or QSAR

PubMed code 20028100

Found 78 hits of Enzyme Inhibition Constant Data   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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 recombinant CA7 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  3.80nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  5.10nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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 recombinant CA12 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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 recombinant CA6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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 recombinant CA2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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 recombinant CA13 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  20nMAssay Description:Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  25nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  30nMAssay Description:Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataKi:  32nMAssay Description:Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  35nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataKi:  37nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  41nMAssay Description:Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  45nMAssay Description:Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  47nMAssay Description:Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  54nMAssay Description:Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  56nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  58nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C
Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1
Affinity DataKi:  59nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  63nMAssay Description:Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  63nMAssay Description:Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataKi:  70nMAssay Description:Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 15(Mus musculus)
Universit£ degli Studi di Firenze

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:  72nMAssay Description:Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  74nMAssay Description:Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300203((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C
Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1
Affinity DataKi:  78nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 15(Mus musculus)
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  78nMAssay Description:Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  89nMAssay Description:Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  117nMAssay Description:Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataKi:  238nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataKi:  240nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  250nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  250nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  331nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  341nMAssay Description:Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  353nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  362nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  374nMAssay Description:Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  412nMAssay Description:Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  430nMAssay Description:Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 15(Mus musculus)
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  461nMAssay Description:Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  473nMAssay Description:Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  525nMAssay Description:Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 15(Mus musculus)
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10888(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Affinity DataKi:  634nMAssay Description:Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataKi:  941nMAssay Description:Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10857(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Affinity DataKi:  988nMAssay Description:Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50300204((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
Affinity DataKi:  1.21E+3nMAssay Description:Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10887(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Affinity DataKi:  1.46E+3nMAssay Description:Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
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