Compile Data Set for Download or QSAR
Found 931 Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5A, mitochondrial'
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341394(CHEMBL4171921)
Show SMILES CCCCC[Se]c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO2SSe/c1-2-3-4-9-16-11-7-5-10(6-8-11)15(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)
Affinity DataKi:  2.90nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM11618(5-(4-Acetamido-3-bromobenzenesulfonamido)-1,3,4-th...)
Show SMILES CC(=O)Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10BrN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
Affinity DataKi:  4nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341391(CHEMBL4163634)
Show SMILES COCC[Se]c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO3SSe/c1-13-6-7-15-9-4-2-8(3-5-9)14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
Affinity DataKi:  4nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM11617(5-(4-Acetamido-3-chlorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10ClN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
Affinity DataKi:  5nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM11616(5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10FN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
Affinity DataKi:  5nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341388(CHEMBL4159208)
Show SMILES NS(=O)(=O)c1ccc([Se]CCc2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2SSe/c15-18(16,17)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
Affinity DataKi:  5.10nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341390(CHEMBL4161665)
Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccccc2)cc1
Show InChI InChI=1S/C13H13NO2SSe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)
Affinity DataKi:  5.40nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341396(CHEMBL4176433)
Show SMILES NS(=O)(=O)c1ccc([Se]CCO)cc1
Show InChI InChI=1S/C8H11NO3SSe/c9-13(11,12)7-1-3-8(4-2-7)14-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
Affinity DataKi:  5.40nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341395(CHEMBL4175369)
Show SMILES NS(=O)(=O)c1ccc([Se]CC#C)cc1
Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
Affinity DataKi:  5.80nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50337754((Z)-5-(((1R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]hepta...)
Show SMILES Cn1nc(sc1=NS(=O)(=O)C[C@@]12CCC(CC1=O)C2(C)C)S(N)(=O)=O
Show InChI InChI=1S/C13H20N4O5S3/c1-12(2)8-4-5-13(12,9(18)6-8)7-24(19,20)16-10-17(3)15-11(23-10)25(14,21)22/h8H,4-7H2,1-3H3,(H2,14,21,22)/t8?,13-/m0/s1
Affinity DataKi:  5.90nMAssay Description:Inhibition of human recombinant CA5A mitochondrial isoform by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

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:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35733(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
Affinity DataKi:  6.70nM ΔG°:  -46.7kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35739(sulfonamide deriv., 7g)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccn2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-6-4-10(5-7-12)16-13(17)9-11-3-1-2-8-15-11/h1-8H,9H2,(H,16,17)(H2,14,18,19)
Affinity DataKi:  6.80nM ΔG°:  -46.6kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341389(CHEMBL4164747)
Show SMILES NS(=O)(=O)c1ccc([Se]CC=C)cc1
Show InChI InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
Affinity DataKi:  6.90nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35727(sulfonamide deriv., 5b)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1
Show InChI InChI=1S/C12H11FN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
Affinity DataKi:  6.90nM ΔG°:  -46.6kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341387(CHEMBL4161324)
Show SMILES CC#CC[Se]c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)
Affinity DataKi:  7.10nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341393(CHEMBL4165154)
Show SMILES CC(C)[Se]c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
Affinity DataKi:  7.10nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35738(sulfonamide deriv., 7f)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Br)c1
Show InChI InChI=1S/C14H13BrN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
Affinity DataKi:  7.10nM ΔG°:  -46.5kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35726(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
Affinity DataKi:  7.20nM ΔG°:  -46.5kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341386(CHEMBL4173057)
Show SMILES C[Se]c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2SSe/c1-12-7-4-2-6(3-5-7)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
Affinity DataKi:  7.30nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35740(sulfonamide deriv., 7h)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccncc2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-3-1-11(2-4-12)16-13(17)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)(H2,14,18,19)
Affinity DataKi:  7.30nM ΔG°:  -46.4kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50279705(CHEMBL4161289)
Show SMILES NS(=O)(=O)c1ccc([Se][Se]c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
Affinity DataKi:  7.30nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35729(sulfonamide deriv., 5d)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1
Show InChI InChI=1S/C12H11BrN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
Affinity DataKi:  7.5nM ΔG°:  -46.4kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35732(sulfonamide deriv., 6)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)
Affinity DataKi:  7.60nM ΔG°:  -46.3kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35741(sulfonamide deriv., 7i)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1
Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)
Affinity DataKi:  7.60nM ΔG°:  -46.3kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35728(sulfonamide deriv., 5c)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1
Show InChI InChI=1S/C12H11ClN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
Affinity DataKi:  7.70nM ΔG°:  -46.3kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35735(sulfonamide deriv., 7c)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O3S/c17-22(20,21)15-8-6-13(7-9-15)10-11-18-16(19)12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)(H2,17,20,21)
Affinity DataKi:  8.10nM ΔG°:  -46.2kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50279713(CHEMBL4159870)
Show SMILES NS(=O)(=O)c1ccc([Se]C#N)cc1
Show InChI InChI=1S/C7H6N2O2SSe/c8-5-13-7-3-1-6(2-4-7)12(9,10)11/h1-4H,(H2,9,10,11)
Affinity DataKi:  8.20nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35737(sulfonamide deriv., 7e)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C14H13ClN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
Affinity DataKi:  8.20nM ΔG°:  -46.2kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35736(sulfonamide deriv., 7d)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(F)c1
Show InChI InChI=1S/C14H13FN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
Affinity DataKi:  8.30nM ΔG°:  -46.1kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35742(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
Affinity DataKi:  8.40nM ΔG°:  -46.1kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35734(sulfonamide deriv., 7b)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
Affinity DataKi:  8.60nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35734(sulfonamide deriv., 7b)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
Affinity DataKi:  8.60nM ΔG°:  -46.0kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50341392(CHEMBL4171524)
Show SMILES NS(=O)(=O)c1ccc([Se]C2CCCCC2)cc1
Show InChI InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)
Affinity DataKi:  8.80nMAssay Description:Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM11615(N-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H11N5O5S3/c1-6(16)12-7-2-4-8(5-3-7)23(19,20)15-9-13-14-10(21-9)22(11,17)18/h2-5H,1H3,(H,12,16)(H,13,15)(H2,11,17,18)
Affinity DataKi:  9nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35730(cid_694792 | sulfonamide deriv., 5e)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
Affinity DataKi:  9.10nM ΔG°:  -45.9kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50262015(4-(4-o-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1ccccc1-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-4-2-3-5-14(11)15-10-19(18-17-15)12-6-8-13(9-7-12)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
Affinity DataKi:  9.30nMAssay Description:Inhibition of human recombinant CA5A by CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50469143(CHEMBL4293677)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ncc([se]1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2SSe/c16-20(18,19)13-8-6-12(7-9-13)15-17-10-14(21-15)11-4-2-1-3-5-11/h1-10H,(H2,16,18,19)
Affinity DataKi:  9.70nMAssay Description:Inhibition of recombinant human carbonic anhydrase 5a incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM16653(2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H7F5N2O3S/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)20-5-1-3-6(4-2-5)24(19,22)23/h1-4H,(H,20,21)(H2,19,22,23)
Affinity DataKi:  10nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35731(sulfonamide deriv., 5f)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)
Affinity DataKi:  10.2nM ΔG°:  -45.6kJ/moleT: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50262065(4-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)benze...)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-22-13-6-2-11(3-7-13)15-10-19(18-17-15)12-4-8-14(9-5-12)23(16,20)21/h2-10H,1H3,(H2,16,20,21)
Affinity DataKi:  10.6nMAssay Description:Inhibition of human recombinant CA5A by CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50262063(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
Affinity DataKi:  12.8nMAssay Description:Inhibition of human recombinant CA5A by CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM35733(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
Affinity DataKi:  13nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM16670(2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-1,3,4-thiadia...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
Show InChI InChI=1S/C9H3F5N4O3S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(19)16-8-17-18-9(22-8)23(15,20)21/h(H2,15,20,21)(H,16,17,19)
Affinity DataKi:  13nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM16651(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
Show InChI InChI=1S/C15H7F17N2O3S/c16-8(17,7(35)34-5-1-3-6(4-2-5)38(33,36)37)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H,(H,34,35)(H2,33,36,37)
Affinity DataKi:  13nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM11634(2,3,4,5,6-pentafluoro-N-(3-methyl-5-sulfamoyl-2,3-...)
Show SMILES Cn1nc(sc1=NC(=O)c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C10H5F5N4O3S2/c1-19-9(23-10(18-19)24(16,21)22)17-8(20)2-3(11)5(13)7(15)6(14)4(2)12/h1H3,(H2,16,21,22)
Affinity DataKi:  14nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50262067(4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H11FN4O2S/c15-11-3-1-10(2-4-11)14-9-19(18-17-14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21)
Affinity DataKi:  14.2nMAssay Description:Inhibition of human recombinant CA5A by CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM16656(1-phenyl-3-[2-(4-sulfamoylphenyl)ethyl]urea | CHEM...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-8-6-12(7-9-14)10-11-17-15(19)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)
Affinity DataKi:  15nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50262066(4-{1-[4-(aminosulfonyl)phenyl]-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N5O4S2/c15-24(20,21)12-5-1-10(2-6-12)14-9-19(18-17-14)11-3-7-13(8-4-11)25(16,22)23/h1-9H,(H2,15,20,21)(H2,16,22,23)
Affinity DataKi:  15.1nMAssay Description:Inhibition of human recombinant CA5A by CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
University of Florence

Curated by ChEMBL
LigandPNGBDBM50337748(4-((((1R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1...)
Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O)C(=O)C2
Show InChI InChI=1S/C17H24N2O5S2/c1-16(2)13-7-8-17(16,15(20)9-13)11-25(21,22)19-10-12-3-5-14(6-4-12)26(18,23)24/h3-6,13,19H,7-11H2,1-2H3,(H2,18,23,24)/t13?,17-/m0/s1
Affinity DataKi:  16.6nMAssay Description:Inhibition of human recombinant CA5A mitochondrial isoform by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
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