Compile Data Set for Download or QSAR
Found 275 Enz. Inhib. hit(s) with all data for entry = 50032722
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM11638(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Affinity DataKi:  0.800nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

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:  0.900nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10870(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
Affinity DataKi:  2nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

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 assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10870(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
Affinity DataKi:  6nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10882(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Affinity DataKi:  8nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

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 assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10886(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
Affinity DataKi:  9nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM26999(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
Affinity DataKi:  9nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

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:  10nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

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 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

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 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

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 assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
Affinity DataKi:  14nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10890(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
Affinity DataKi:  15nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10886(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
Affinity DataKi:  15nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

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:  16nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

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:  18.1nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10869(5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...)
Show SMILES Cn1nc(sc1=N)S(N)(=O)=O
Show InChI InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)
Affinity DataKi:  19nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10872(4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)
Affinity DataKi:  19.7nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10886(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
Affinity DataKi:  20.4nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM11639(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Affinity DataKi:  21nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
Affinity DataKi:  21.2nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10872(4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)
Affinity DataKi:  24nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10882(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Affinity DataKi:  25nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10873(4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...)
Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
Affinity DataKi:  25.4nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10870(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
Affinity DataKi:  27.6nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
Affinity DataKi:  28.7nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

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:  29.1nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10871(4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
Affinity DataKi:  29.8nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10890(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
Affinity DataKi:  31nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10873(4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...)
Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
Affinity DataKi:  33nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM11639(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Affinity DataKi:  34.2nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

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 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10883(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
Affinity DataKi:  38nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10882(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Affinity DataKi:  39.4nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM11638(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Affinity DataKi:  40nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10864(4-Amino-3-bromobenzenesulfonamide | 4-amino-3-brom...)
Show SMILES Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
Affinity DataKi:  40nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM29278(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
Affinity DataKi:  40.3nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10882(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Affinity DataKi:  43nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM13063(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
Affinity DataKi:  43nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

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 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM26999(4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
Affinity DataKi:  45.2nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10871(4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
Affinity DataKi:  46nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10890(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
Affinity DataKi:  47nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Stylophora pistillata)
Centre Scientifique de Monaco

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:  48.2nMAssay Description:Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10872(4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)
Affinity DataKi:  50nMAssay Description:Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
Affinity DataKi:  50nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Centre Scientifique de Monaco

Curated by ChEMBL
LigandPNGBDBM10876(4-(hydroxymethyl)benzene-1-sulfonamide | CHEMBL691...)
Show SMILES NS(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
Affinity DataKi:  55nMAssay Description:Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
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