Compile Data Set for Download or QSAR
Found 197 Enz. Inhib. hit(s) with all data for entry = 50035137
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101340(4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H9N5O5S3/c10-21(16,17)6-3-1-5(2-4-6)7(15)12-8-13-14-9(20-8)22(11,18)19/h1-4H,(H2,10,16,17)(H2,11,18,19)(H,12,13,15)
Affinity DataKi:  3nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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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:Compound was evaluated for binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM11635(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
Affinity DataKi:  5nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101364(CHEMBL50000 | N-(5-Mercapto-[1,3,4]thiadiazol-2-yl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H8N4O3S3/c10-19(15,16)6-3-1-5(2-4-6)7(14)11-8-12-13-9(17)18-8/h1-4H,(H,13,17)(H2,10,15,16)(H,11,12,14)
Affinity DataKi:  5nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101335(4-Sulfamoyl-N-(4-sulfamoyl-benzyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O5S2/c15-23(19,20)12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)24(16,21)22/h1-8H,9H2,(H,17,18)(H2,15,19,20)(H2,16,21,22)
Affinity DataKi:  7nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101362((S)-2-[(S)-3-(3H-Imidazol-4-yl)-2-(4-sulfamoyl-ben...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H23N5O6S/c23-34(32,33)17-8-6-15(7-9-17)20(28)26-18(11-16-12-24-13-25-16)21(29)27-19(22(30)31)10-14-4-2-1-3-5-14/h1-9,12-13,18-19H,10-11H2,(H,24,25)(H,26,28)(H,27,29)(H,30,31)(H2,23,32,33)/t18-,19-/m0/s1
Affinity DataKi:  9nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

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:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101348(CHEMBL51346 | [(S)-4-Methyl-2-(4-sulfamoyl-benzoyl...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H21N3O6S/c1-9(2)7-12(15(22)17-8-13(19)20)18-14(21)10-3-5-11(6-4-10)25(16,23)24/h3-6,9,12H,7-8H2,1-2H3,(H,17,22)(H,18,21)(H,19,20)(H2,16,23,24)/t12-/m0/s1
Affinity DataKi:  9nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101361(4-Chloro-3-sulfamoyl-N-(5-sulfamoyl-1H-1lambda*4*-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H8ClN5O5S3/c10-5-2-1-4(3-6(5)22(11,17)18)7(16)13-8-14-15-9(21-8)23(12,19)20/h1-3H,(H2,11,17,18)(H2,12,19,20)(H,13,14,16)
Affinity DataKi:  10nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101378(CHEMBL52227 | [(S)-3-(3H-Imidazol-4-yl)-2-(4-sulfa...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H17N5O6S/c16-27(25,26)11-3-1-9(2-4-11)14(23)20-12(5-10-6-17-8-19-10)15(24)18-7-13(21)22/h1-4,6,8,12H,5,7H2,(H,17,19)(H,18,24)(H,20,23)(H,21,22)(H2,16,25,26)/t12-/m0/s1
Affinity DataKi:  10nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101360(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
Affinity DataKi:  10nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101333(4-Chloro-N-(5-mercapto-[1,3,4]thiadiazol-2-yl)-3-s...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H7ClN4O3S3/c10-5-2-1-4(3-6(5)20(11,16)17)7(15)12-8-13-14-9(18)19-8/h1-3H,(H,14,18)(H2,11,16,17)(H,12,13,15)
Affinity DataKi:  11nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101345((S)-3-Phenyl-2-[(S)-2-(4-sulfamoyl-benzoylamino)-p...)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21N3O6S/c1-12(21-18(24)14-7-9-15(10-8-14)29(20,27)28)17(23)22-16(19(25)26)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)(H2,20,27,28)/t12-,16-/m0/s1
Affinity DataKi:  12nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101361(4-Chloro-3-sulfamoyl-N-(5-sulfamoyl-1H-1lambda*4*-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H8ClN5O5S3/c10-5-2-1-4(3-6(5)22(11,17)18)7(16)13-8-14-15-9(21-8)23(12,19)20/h1-3H,(H2,11,17,18)(H2,12,19,20)(H,13,14,16)
Affinity DataKi:  13nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM11635(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
Affinity DataKi:  13nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101364(CHEMBL50000 | N-(5-Mercapto-[1,3,4]thiadiazol-2-yl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H8N4O3S3/c10-19(15,16)6-3-1-5(2-4-6)7(14)11-8-12-13-9(17)18-8/h1-4H,(H,13,17)(H2,10,15,16)(H,11,12,14)
Affinity DataKi:  14nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101340(4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H9N5O5S3/c10-21(16,17)6-3-1-5(2-4-6)7(15)12-8-13-14-9(20-8)22(11,18)19/h1-4H,(H2,10,16,17)(H2,11,18,19)(H,12,13,15)
Affinity DataKi:  15nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101333(4-Chloro-N-(5-mercapto-[1,3,4]thiadiazol-2-yl)-3-s...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H7ClN4O3S3/c10-5-2-1-4(3-6(5)20(11,16)17)7(15)12-8-13-14-9(18)19-8/h1-3H,(H,14,18)(H2,11,16,17)(H,12,13,15)
Affinity DataKi:  15nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101335(4-Sulfamoyl-N-(4-sulfamoyl-benzyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O5S2/c15-23(19,20)12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)24(16,21)22/h1-8H,9H2,(H,17,18)(H2,15,19,20)(H2,16,21,22)
Affinity DataKi:  16nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101348(CHEMBL51346 | [(S)-4-Methyl-2-(4-sulfamoyl-benzoyl...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H21N3O6S/c1-9(2)7-12(15(22)17-8-13(19)20)18-14(21)10-3-5-11(6-4-10)25(16,23)24/h3-6,9,12H,7-8H2,1-2H3,(H,17,22)(H,18,21)(H,19,20)(H2,16,23,24)/t12-/m0/s1
Affinity DataKi:  16nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101372((S)-3-(3H-Imidazol-4-yl)-2-[3-(4-sulfamoyl-benzoyl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C16H19N5O6S/c17-28(26,27)12-3-1-10(2-4-12)15(23)19-6-5-14(22)21-13(16(24)25)7-11-8-18-9-20-11/h1-4,8-9,13H,5-7H2,(H,18,20)(H,19,23)(H,21,22)(H,24,25)(H2,17,26,27)/t13-/m0/s1
Affinity DataKi:  16nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101378(CHEMBL52227 | [(S)-3-(3H-Imidazol-4-yl)-2-(4-sulfa...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H17N5O6S/c16-27(25,26)11-3-1-9(2-4-11)14(23)20-12(5-10-6-17-8-19-10)15(24)18-7-13(21)22/h1-4,6,8,12H,5,7H2,(H,17,19)(H,18,24)(H,20,23)(H,21,22)(H2,16,25,26)/t12-/m0/s1
Affinity DataKi:  19nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101333(4-Chloro-N-(5-mercapto-[1,3,4]thiadiazol-2-yl)-3-s...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H7ClN4O3S3/c10-5-2-1-4(3-6(5)20(11,16)17)7(15)12-8-13-14-9(18)19-8/h1-3H,(H,14,18)(H2,11,16,17)(H,12,13,15)
Affinity DataKi:  21nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101344((S)-3-Hydroxy-3-phenyl-2-(4-sulfamoyl-benzoylamino...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C(O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H16N2O6S/c17-25(23,24)12-8-6-11(7-9-12)15(20)18-13(16(21)22)14(19)10-4-2-1-3-5-10/h1-9,13-14,19H,(H,18,20)(H,21,22)(H2,17,23,24)/t13-,14?/m0/s1
Affinity DataKi:  21nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101388(4-Chloro-3-sulfamoyl-N-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16ClN3O5S2/c16-13-6-3-11(9-14(13)26(18,23)24)15(20)19-8-7-10-1-4-12(5-2-10)25(17,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,17,21,22)(H2,18,23,24)
Affinity DataKi:  21nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101372((S)-3-(3H-Imidazol-4-yl)-2-[3-(4-sulfamoyl-benzoyl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C16H19N5O6S/c17-28(26,27)12-3-1-10(2-4-12)15(23)19-6-5-14(22)21-13(16(24)25)7-11-8-18-9-20-11/h1-4,8-9,13H,5-7H2,(H,18,20)(H,19,23)(H,21,22)(H,24,25)(H2,17,26,27)/t13-/m0/s1
Affinity DataKi:  21nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101361(4-Chloro-3-sulfamoyl-N-(5-sulfamoyl-1H-1lambda*4*-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H8ClN5O5S3/c10-5-2-1-4(3-6(5)22(11,17)18)7(16)13-8-14-15-9(21-8)23(12,19)20/h1-3H,(H2,11,17,18)(H2,12,19,20)(H,13,14,16)
Affinity DataKi:  22nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101362((S)-2-[(S)-3-(3H-Imidazol-4-yl)-2-(4-sulfamoyl-ben...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H23N5O6S/c23-34(32,33)17-8-6-15(7-9-17)20(28)26-18(11-16-12-24-13-25-16)21(29)27-19(22(30)31)10-14-4-2-1-3-5-14/h1-9,12-13,18-19H,10-11H2,(H,24,25)(H,26,28)(H,27,29)(H,30,31)(H2,23,32,33)/t18-,19-/m0/s1
Affinity DataKi:  23nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi

Curated by ChEMBL
LigandPNGBDBM50101359(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-benzyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
Affinity DataKi:  24nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
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Curated by ChEMBL
LigandPNGBDBM50101345((S)-3-Phenyl-2-[(S)-2-(4-sulfamoyl-benzoylamino)-p...)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21N3O6S/c1-12(21-18(24)14-7-9-15(10-8-14)29(20,27)28)17(23)22-16(19(25)26)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)(H2,20,27,28)/t12-,16-/m0/s1
Affinity DataKi:  24nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101367(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
Affinity DataKi:  24nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Bos taurus (bovine))
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Curated by ChEMBL
LigandPNGBDBM50101360(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
Affinity DataKi:  25nMAssay Description:Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101388(4-Chloro-3-sulfamoyl-N-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16ClN3O5S2/c16-13-6-3-11(9-14(13)26(18,23)24)15(20)19-8-7-10-1-4-12(5-2-10)25(17,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,17,21,22)(H2,18,23,24)
Affinity DataKi:  26nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101382((S)-2-[(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H22ClN5O6S/c23-16-7-6-14(9-19(16)35(24,33)34)20(29)27-17(10-15-11-25-12-26-15)21(30)28-18(22(31)32)8-13-4-2-1-3-5-13/h1-7,9,11-12,17-18H,8,10H2,(H,25,26)(H,27,29)(H,28,30)(H,31,32)(H2,24,33,34)/t17-,18-/m0/s1
Affinity DataKi:  27nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101359(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-benzyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
Affinity DataKi:  28nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101369((S)-2-[3-(4-Chloro-3-sulfamoyl-benzoylamino)-propi...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C16H18ClN5O6S/c17-11-2-1-9(5-13(11)29(18,27)28)15(24)20-4-3-14(23)22-12(16(25)26)6-10-7-19-8-21-10/h1-2,5,7-8,12H,3-4,6H2,(H,19,21)(H,20,24)(H,22,23)(H,25,26)(H2,18,27,28)/t12-/m0/s1
Affinity DataKi:  30nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101367(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
Affinity DataKi:  30nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101340(4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)S(N)(=O)=O)s1
Show InChI InChI=1S/C9H9N5O5S3/c10-21(16,17)6-3-1-5(2-4-6)7(15)12-8-13-14-9(20-8)22(11,18)19/h1-4H,(H2,10,16,17)(H2,11,18,19)(H,12,13,15)
Affinity DataKi:  35nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101369((S)-2-[3-(4-Chloro-3-sulfamoyl-benzoylamino)-propi...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C16H18ClN5O6S/c17-11-2-1-9(5-13(11)29(18,27)28)15(24)20-4-3-14(23)22-12(16(25)26)6-10-7-19-8-21-10/h1-2,5,7-8,12H,3-4,6H2,(H,19,21)(H,20,24)(H,22,23)(H,25,26)(H2,18,27,28)/t12-/m0/s1
Affinity DataKi:  36nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101334(CHEMBL49182 | Phenyl-(4-sulfamoyl-benzoylamino)-ac...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O5S/c16-23(21,22)12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,17,18)(H,19,20)(H2,16,21,22)
Affinity DataKi:  36nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101363((S)-2-[(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-p...)
Show SMILES C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H20ClN3O6S/c1-11(17(24)23-15(19(26)27)9-12-5-3-2-4-6-12)22-18(25)13-7-8-14(20)16(10-13)30(21,28)29/h2-8,10-11,15H,9H2,1H3,(H,22,25)(H,23,24)(H,26,27)(H2,21,28,29)/t11-,15-/m0/s1
Affinity DataKi:  36nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101392((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-hydrox...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](C(O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-11-7-6-10(8-12(11)26(18,24)25)15(21)19-13(16(22)23)14(20)9-4-2-1-3-5-9/h1-8,13-14,20H,(H,19,21)(H,22,23)(H2,18,24,25)/t13-,14?/m0/s1
Affinity DataKi:  37nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101382((S)-2-[(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H22ClN5O6S/c23-16-7-6-14(9-19(16)35(24,33)34)20(29)27-17(10-15-11-25-12-26-15)21(30)28-18(22(31)32)8-13-4-2-1-3-5-13/h1-7,9,11-12,17-18H,8,10H2,(H,25,26)(H,27,29)(H,28,30)(H,31,32)(H2,24,33,34)/t17-,18-/m0/s1
Affinity DataKi:  38nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101364(CHEMBL50000 | N-(5-Mercapto-[1,3,4]thiadiazol-2-yl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C9H8N4O3S3/c10-19(15,16)6-3-1-5(2-4-6)7(14)11-8-12-13-9(17)18-8/h1-4H,(H,13,17)(H2,10,15,16)(H,11,12,14)
Affinity DataKi:  38nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101360(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
Affinity DataKi:  38nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101368(CHEMBL298755 | [(S)-2-(4-Chloro-3-sulfamoyl-benzoy...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H20ClN3O6S/c1-8(2)5-11(15(23)18-7-13(20)21)19-14(22)9-3-4-10(16)12(6-9)26(17,24)25/h3-4,6,8,11H,5,7H2,1-2H3,(H,18,23)(H,19,22)(H,20,21)(H2,17,24,25)/t11-/m0/s1
Affinity DataKi:  39nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101339((S)-3-(3H-Imidazol-4-yl)-2-(4-sulfamoyl-benzoylami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N4O5S/c14-23(21,22)10-3-1-8(2-4-10)12(18)17-11(13(19)20)5-9-6-15-7-16-9/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)(H2,14,21,22)/t11-/m0/s1
Affinity DataKi:  40nMAssay Description:Binding affinity against human carbonic anhydrase II (hCA -II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM11635(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
Affinity DataKi:  40nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101335(4-Sulfamoyl-N-(4-sulfamoyl-benzyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O5S2/c15-23(19,20)12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)24(16,21)22/h1-8H,9H2,(H,17,18)(H2,15,19,20)(H2,16,21,22)
Affinity DataKi:  40nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50101375(CHEMBL50045 | [(S)-2-(4-Chloro-3-sulfamoyl-benzoyl...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H16ClN5O6S/c16-10-2-1-8(3-12(10)28(17,26)27)14(24)21-11(4-9-5-18-7-20-9)15(25)19-6-13(22)23/h1-3,5,7,11H,4,6H2,(H,18,20)(H,19,25)(H,21,24)(H,22,23)(H2,17,26,27)/t11-/m0/s1
Affinity DataKi:  41nMAssay Description:Binding affinity against human carbonic anhydrase I (hCA I)More data for this Ligand-Target Pair
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