Compile Data Set for Download or QSAR
Found 76 Enz. Inhib. hit(s) with all data for entry = 50040191
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

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:  6nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

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 CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

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 CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50337278(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
Affinity DataKi:  38nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390681(CHEMBL2070207)
Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-2-17-8-10(9-5-3-4-6-13(9)17)11-7-12(14(18)19)16-15-11/h3-8H,2H2,1H3,(H,15,16)(H,18,19)
Affinity DataKi:  42nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390677(CHEMBL41028)
Show SMILES OC(C(O)=O)C(=O)C(O)=O
Show InChI InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
Affinity DataKi:  45nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390686(CHEMBL2070212)
Show SMILES COC(=O)C(=O)C1C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-22-17(21)15(19)14-12-9-5-6-10-13(12)18(16(14)20)11-7-3-2-4-8-11/h2-10,14H,1H3
Affinity DataKi:  49nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50337278(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
Affinity DataKi:  50nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50337278(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
Affinity DataKi:  50nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM10880(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Affinity DataKi:  250nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390684(CHEMBL2070210)
Show SMILES OC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,7H,(H,11,13)(H,14,15)
Affinity DataKi:  480nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390691(CHEMBL2070213)
Show SMILES CCn1cc(C2C(=O)NC(=O)C2=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O3/c1-2-16-7-9(8-5-3-4-6-10(8)16)11-12(17)14(19)15-13(11)18/h3-7,11H,2H2,1H3,(H,15,18,19)
Affinity DataKi:  630nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50184624(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
Affinity DataKi:  720nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50184624(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
Affinity DataKi:  770nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390685(CHEMBL2070211)
Show SMILES COC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)9(13)8-6-4-2-3-5-7(6)12-10(8)14/h2-5,8H,1H3,(H,12,14)
Affinity DataKi:  1.05E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390683(CHEMBL2070209)
Show SMILES COC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H17N3O2/c1-25-20(24)18-11-17(21-22-18)16-13-23(12-14-7-3-2-4-8-14)19-10-6-5-9-15(16)19/h2-11,13H,12H2,1H3,(H,21,22)
Affinity DataKi:  1.19E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50337278(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390680(CHEMBL2070206)
Show SMILES COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OC
Show InChI InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-6H,7-8H2,1-2H3
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390687(CHEMBL2070202)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O3/c19-14-7-11-6-13(18-12(11)8-15(14)20)16(21)17-9-10-4-2-1-3-5-10/h1-8,18-20H,9H2,(H,17,21)
Affinity DataKi:  1.45E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390683(CHEMBL2070209)
Show SMILES COC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H17N3O2/c1-25-20(24)18-11-17(21-22-18)16-13-23(12-14-7-3-2-4-8-14)19-10-6-5-9-15(16)19/h2-11,13H,12H2,1H3,(H,21,22)
Affinity DataKi:  1.65E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390688(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
Affinity DataKi:  1.85E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50154408((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
Affinity DataKi:  1.93E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
Affinity DataKi:  2.65E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50154408((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
Affinity DataKi:  2.78E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390688(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
Affinity DataKi:  3.02E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390682(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
Affinity DataKi:  3.24E+3nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50190612((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3
Affinity DataKi:  3.27E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  3.35E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390687(CHEMBL2070202)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O3/c19-14-7-11-6-13(18-12(11)8-15(14)20)16(21)17-9-10-4-2-1-3-5-10/h1-8,18-20H,9H2,(H,17,21)
Affinity DataKi:  3.60E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390682(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
Affinity DataKi:  3.62E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50184624(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
Affinity DataKi:  4.02E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390686(CHEMBL2070212)
Show SMILES COC(=O)C(=O)C1C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-22-17(21)15(19)14-12-9-5-6-10-13(12)18(16(14)20)11-7-3-2-4-8-11/h2-10,14H,1H3
Affinity DataKi:  4.14E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50184624(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
Affinity DataKi:  4.35E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390684(CHEMBL2070210)
Show SMILES OC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,7H,(H,11,13)(H,14,15)
Affinity DataKi:  4.36E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390677(CHEMBL41028)
Show SMILES OC(C(O)=O)C(=O)C(O)=O
Show InChI InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
Affinity DataKi:  4.41E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390680(CHEMBL2070206)
Show SMILES COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OC
Show InChI InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-6H,7-8H2,1-2H3
Affinity DataKi:  4.55E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390686(CHEMBL2070212)
Show SMILES COC(=O)C(=O)C1C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-22-17(21)15(19)14-12-9-5-6-10-13(12)18(16(14)20)11-7-3-2-4-8-11/h2-10,14H,1H3
Affinity DataKi:  5.03E+3nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
Affinity DataKi:  5.07E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390678(CHEMBL2070204)
Show SMILES CC(=O)c1c(C(O)=O)n(C)c2cc3OCOc3cc12
Show InChI InChI=1S/C13H11NO5/c1-6(15)11-7-3-9-10(19-5-18-9)4-8(7)14(2)12(11)13(16)17/h3-4H,5H2,1-2H3,(H,16,17)
Affinity DataKi:  5.20E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50190612((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3
Affinity DataKi:  5.53E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390682(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
Affinity DataKi:  6.12E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390682(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
Affinity DataKi:  6.20E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390691(CHEMBL2070213)
Show SMILES CCn1cc(C2C(=O)NC(=O)C2=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O3/c1-2-16-7-9(8-5-3-4-6-10(8)16)11-12(17)14(19)15-13(11)18/h3-7,11H,2H2,1H3,(H,15,18,19)
Affinity DataKi:  6.65E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390677(CHEMBL41028)
Show SMILES OC(C(O)=O)C(=O)C(O)=O
Show InChI InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
Affinity DataKi:  6.70E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  6.79E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50190612((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3
Affinity DataKi:  6.86E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
Affinity DataKi:  6.93E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390685(CHEMBL2070211)
Show SMILES COC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)9(13)8-6-4-2-3-5-7(6)12-10(8)14/h2-5,8H,1H3,(H,12,14)
Affinity DataKi:  6.96E+3nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50390680(CHEMBL2070206)
Show SMILES COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OC
Show InChI InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-6H,7-8H2,1-2H3
Affinity DataKi:  7.05E+3nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
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