Compile Data Set for Download or QSAR
Found 22 Enz. Inhib. hit(s) with all data for entry = 50046759
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
Affinity DataKi:  612nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

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:  628nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM10859(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
Affinity DataKi:  8.14E+3nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50129949(CHEMBL3627999)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H23NO4S/c1-18-12-14-21(15-13-18)29(26,27)24-22(16-19-8-4-2-5-9-19)23(25)28-17-20-10-6-3-7-11-20/h2-15,22,24H,16-17H2,1H3/t22-/m0/s1
Affinity DataKi:  1.47E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130030(CHEMBL1885780)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H17NO4S/c1-13-7-9-15(10-8-13)22(19,20)17-11-16(18)21-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
Affinity DataKi:  1.83E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130022(CHEMBL1885189)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCCC1
Show InChI InChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3
Affinity DataKi:  1.93E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130030(CHEMBL1885780)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H17NO4S/c1-13-7-9-15(10-8-13)22(19,20)17-11-16(18)21-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
Affinity DataKi:  2.96E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
Affinity DataKi:  4.00E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
Affinity DataKi:  4.19E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

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:  4.29E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50129949(CHEMBL3627999)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H23NO4S/c1-18-12-14-21(15-13-18)29(26,27)24-22(16-19-8-4-2-5-9-19)23(25)28-17-20-10-6-3-7-11-20/h2-15,22,24H,16-17H2,1H3/t22-/m0/s1
Affinity DataKi:  5.60E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130031(CHEMBL1569191)
Show SMILES COC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3
Affinity DataKi:  5.64E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50129951(CHEMBL3627998)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H19NO4S/c1-13-8-10-15(11-9-13)23(20,21)18-16(17(19)22-2)12-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1
Affinity DataKi:  6.37E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50129951(CHEMBL3627998)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H19NO4S/c1-13-8-10-15(11-9-13)23(20,21)18-16(17(19)22-2)12-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1
Affinity DataKi:  9.74E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130032(CHEMBL3628000)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C21H26N2O3S/c1-17-10-12-19(13-11-17)27(25,26)22-20(16-18-8-4-2-5-9-18)21(24)23-14-6-3-7-15-23/h2,4-5,8-13,20,22H,3,6-7,14-16H2,1H3/t20-/m0/s1
Affinity DataKi:  1.00E+5nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130010(CHEMBL3275993)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m0/s1
Affinity DataKi:  1.04E+5nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130031(CHEMBL1569191)
Show SMILES COC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3
Affinity DataKi:  1.06E+5nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM10859(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
Affinity DataKi:  1.18E+5nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50016567((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
Affinity DataKi:  1.20E+5nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50016567((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
Affinity DataKi:  1.44E+5nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Gebze Technical University

Curated by ChEMBL
LigandPNGBDBM50130010(CHEMBL3275993)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m0/s1
Affinity DataKi:  3.15E+5nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...More data for this Ligand-Target Pair