Compile Data Set for Download or QSAR
Found 75 Enz. Inhib. hit(s) with all data for entry = 50038827
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278848(4-(4-{[beta-D-galactopyranosyl]sulfinylmethyl}-1-H...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12+,13+,14-,15+,28?/m1/s1
Affinity DataKi:  2.90nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
Affinity DataKi:  3.5nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278700(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O11S2/c1-12(28)34-10-19-20(35-13(2)29)21(36-14(3)30)22(37-15(4)31)23(38-19)39-11-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20-,21+,22-,23+/m1/s1
Affinity DataKi:  5.30nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278783(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O13S2/c1-12(28)36-10-19-20(37-13(2)29)21(38-14(3)30)22(39-15(4)31)23(40-19)41(32,33)11-16-9-27(26-25-16)17-5-7-18(8-6-17)42(24,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,24,34,35)/t19-,20+,21+,22-,23+/m1/s1
Affinity DataKi:  5.30nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278779(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20-,21+,22-,23+,40?/m1/s1
Affinity DataKi:  5.40nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278844(4-(4-{[beta-D-glucopyranosyl]thiomethyl}-1-H-1,2,3...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O7S2/c16-28(24,25)10-3-1-9(2-4-10)19-5-8(17-18-19)7-27-15-14(23)13(22)12(21)11(6-20)26-15/h1-5,11-15,20-23H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14-,15+/m1/s1
Affinity DataKi:  5.60nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

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 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278847(4-(4-{[beta-D-galactopyranosyl]thiomethyl}-1-H-1,2...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O7S2/c16-28(24,25)10-3-1-9(2-4-10)19-5-8(17-18-19)7-27-15-14(23)13(22)12(21)11(6-20)26-15/h1-5,11-15,20-23H,6-7H2,(H2,16,24,25)/t11-,12+,13+,14-,15+/m1/s1
Affinity DataKi:  6.10nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278847(4-(4-{[beta-D-galactopyranosyl]thiomethyl}-1-H-1,2...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O7S2/c16-28(24,25)10-3-1-9(2-4-10)19-5-8(17-18-19)7-27-15-14(23)13(22)12(21)11(6-20)26-15/h1-5,11-15,20-23H,6-7H2,(H2,16,24,25)/t11-,12+,13+,14-,15+/m1/s1
Affinity DataKi:  6.20nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278782(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20+,21+,22-,23+,40?/m1/s1
Affinity DataKi:  6.80nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM15224(4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyran...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)34-11-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)35-10-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23-/m1/s1
Affinity DataKi:  6.80nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278780((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((1-(4-sulfam...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O13S2/c1-12(28)36-10-19-20(37-13(2)29)21(38-14(3)30)22(39-15(4)31)23(40-19)41(32,33)11-16-9-27(26-25-16)17-5-7-18(8-6-17)42(24,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,24,34,35)/t19-,20-,21+,22-,23+/m1/s1
Affinity DataKi:  6.90nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM15224(4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyran...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)34-11-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)35-10-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23-/m1/s1
Affinity DataKi:  6.90nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278109((2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...)
Show SMILES CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H22N4O9S/c1-9(23)29-16-13(7-22)30-17(15(25)14(16)24)28-8-10-6-21(20-19-10)11-2-4-12(5-3-11)31(18,26)27/h2-6,13-17,22,24-25H,7-8H2,1H3,(H2,18,26,27)/t13-,14-,15-,16-,17-/m1/s1
Affinity DataKi:  7nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278151((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...)
Show SMILES CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H22N4O9S/c1-9(23)29-16-13(7-22)30-17(15(25)14(16)24)28-8-10-6-21(20-19-10)11-2-4-12(5-3-11)31(18,26)27/h2-6,13-17,22,24-25H,7-8H2,1H3,(H2,18,26,27)/t13-,14-,15-,16+,17-/m1/s1
Affinity DataKi:  7nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278783(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O13S2/c1-12(28)36-10-19-20(37-13(2)29)21(38-14(3)30)22(39-15(4)31)23(40-19)41(32,33)11-16-9-27(26-25-16)17-5-7-18(8-6-17)42(24,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,24,34,35)/t19-,20+,21+,22-,23+/m1/s1
Affinity DataKi:  7.5nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278846(4-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12-,13+,14-,15+/m1/s1
Affinity DataKi:  7.60nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278782(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20+,21+,22-,23+,40?/m1/s1
Affinity DataKi:  7.70nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278845(4-(4-{[beta-D-glucopyranosyl]sulfinylmethyl}-1-H-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12-,13+,14-,15+,28?/m1/s1
Affinity DataKi:  7.80nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278108(4-(4-{[beta-D-galactopyranosyl]sulfonylmethyl}-1-H...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12+,13+,14-,15+/m1/s1
Affinity DataKi:  7.80nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278848(4-(4-{[beta-D-galactopyranosyl]sulfinylmethyl}-1-H...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12+,13+,14-,15+,28?/m1/s1
Affinity DataKi:  8nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278108(4-(4-{[beta-D-galactopyranosyl]sulfonylmethyl}-1-H...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12+,13+,14-,15+/m1/s1
Affinity DataKi:  8.10nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278779(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20-,21+,22-,23+,40?/m1/s1
Affinity DataKi:  8.40nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278700(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O11S2/c1-12(28)34-10-19-20(35-13(2)29)21(36-14(3)30)22(37-15(4)31)23(38-19)39-11-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20-,21+,22-,23+/m1/s1
Affinity DataKi:  8.60nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278781(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O11S2/c1-12(28)34-10-19-20(35-13(2)29)21(36-14(3)30)22(37-15(4)31)23(38-19)39-11-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23+/m1/s1
Affinity DataKi:  8.60nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278109((2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...)
Show SMILES CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H22N4O9S/c1-9(23)29-16-13(7-22)30-17(15(25)14(16)24)28-8-10-6-21(20-19-10)11-2-4-12(5-3-11)31(18,26)27/h2-6,13-17,22,24-25H,7-8H2,1H3,(H2,18,26,27)/t13-,14-,15-,16-,17-/m1/s1
Affinity DataKi:  8.70nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278151((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...)
Show SMILES CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H22N4O9S/c1-9(23)29-16-13(7-22)30-17(15(25)14(16)24)28-8-10-6-21(20-19-10)11-2-4-12(5-3-11)31(18,26)27/h2-6,13-17,22,24-25H,7-8H2,1H3,(H2,18,26,27)/t13-,14-,15-,16+,17-/m1/s1
Affinity DataKi:  8.70nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
Affinity DataKi:  9nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278780((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((1-(4-sulfam...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O13S2/c1-12(28)36-10-19-20(37-13(2)29)21(38-14(3)30)22(39-15(4)31)23(40-19)41(32,33)11-16-9-27(26-25-16)17-5-7-18(8-6-17)42(24,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,24,34,35)/t19-,20-,21+,22-,23+/m1/s1
Affinity DataKi:  9.10nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278781(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O11S2/c1-12(28)34-10-19-20(35-13(2)29)21(36-14(3)30)22(37-15(4)31)23(38-19)39-11-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23+/m1/s1
Affinity DataKi:  9.20nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278780((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((1-(4-sulfam...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O13S2/c1-12(28)36-10-19-20(37-13(2)29)21(38-14(3)30)22(39-15(4)31)23(40-19)41(32,33)11-16-9-27(26-25-16)17-5-7-18(8-6-17)42(24,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,24,34,35)/t19-,20-,21+,22-,23+/m1/s1
Affinity DataKi:  9.30nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278108(4-(4-{[beta-D-galactopyranosyl]sulfonylmethyl}-1-H...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12+,13+,14-,15+/m1/s1
Affinity DataKi:  9.40nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278700(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O11S2/c1-12(28)34-10-19-20(35-13(2)29)21(36-14(3)30)22(37-15(4)31)23(38-19)39-11-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20-,21+,22-,23+/m1/s1
Affinity DataKi:  9.5nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278782(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20+,21+,22-,23+,40?/m1/s1
Affinity DataKi:  9.5nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278844(4-(4-{[beta-D-glucopyranosyl]thiomethyl}-1-H-1,2,3...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O7S2/c16-28(24,25)10-3-1-9(2-4-10)19-5-8(17-18-19)7-27-15-14(23)13(22)12(21)11(6-20)26-15/h1-5,11-15,20-23H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14-,15+/m1/s1
Affinity DataKi:  9.5nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278846(4-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12-,13+,14-,15+/m1/s1
Affinity DataKi:  9.5nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM15224(4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyran...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)34-11-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)35-10-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23-/m1/s1
Affinity DataKi:  9.70nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278845(4-(4-{[beta-D-glucopyranosyl]sulfinylmethyl}-1-H-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12-,13+,14-,15+,28?/m1/s1
Affinity DataKi:  9.80nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278779(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-glucopyra...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20-,21+,22-,23+,40?/m1/s1
Affinity DataKi:  9.90nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278781(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O11S2/c1-12(28)34-10-19-20(35-13(2)29)21(36-14(3)30)22(37-15(4)31)23(38-19)39-11-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23+/m1/s1
Affinity DataKi:  9.90nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278845(4-(4-{[beta-D-glucopyranosyl]sulfinylmethyl}-1-H-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12-,13+,14-,15+,28?/m1/s1
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278846(4-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12-,13+,14-,15+/m1/s1
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278847(4-(4-{[beta-D-galactopyranosyl]thiomethyl}-1-H-1,2...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O7S2/c16-28(24,25)10-3-1-9(2-4-10)19-5-8(17-18-19)7-27-15-14(23)13(22)12(21)11(6-20)26-15/h1-5,11-15,20-23H,6-7H2,(H2,16,24,25)/t11-,12+,13+,14-,15+/m1/s1
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278783(4-(4-{[2',3',4',6'-Tetra-O-acetyl-beta-D-galactopy...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)Cc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O13S2/c1-12(28)36-10-19-20(37-13(2)29)21(38-14(3)30)22(39-15(4)31)23(40-19)41(32,33)11-16-9-27(26-25-16)17-5-7-18(8-6-17)42(24,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,24,34,35)/t19-,20+,21+,22-,23+/m1/s1
Affinity DataKi:  11nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50278848(4-(4-{[beta-D-galactopyranosyl]sulfinylmethyl}-1-H...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12+,13+,14-,15+,28?/m1/s1
Affinity DataKi:  12nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

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 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

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 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM15223(4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)34-11-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)35-10-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20-,21+,22-,23-/m1/s1
Affinity DataKi:  46nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
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