Compile Data Set for Download or QSAR
Found 220 Enz. Inhib. hit(s) with all data for entry = 8468
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

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:  6.80nM ΔG°:  -45.8kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  12nM ΔG°:  -44.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

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:  21nM ΔG°:  -43.1kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonate dehydratase(Porphyromonas gingivalis JCVI SC001)
Universit£ degli Studi di Firenze

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:  27nM ΔG°:  -42.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Porphyromonas gingivalis beta carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonate dehydratase(Porphyromonas gingivalis JCVI SC001)
Universit£ degli Studi di Firenze

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:  40nM ΔG°:  -41.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori beta carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Methanosarcina thermophila)
Universit£ degli Studi di Firenze

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:  63nM ΔG°:  -40.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Methanosarcina thermophila gamma carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonate dehydratase(Porphyromonas gingivalis JCVI SC001)
Universit£ degli Studi di Firenze

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:  214nM ΔG°:  -37.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Porphyromonas gingivalis beta carbonic anhydrase preincubated for15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

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:  250nM ΔG°:  -37.1kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonate dehydratase(Porphyromonas gingivalis JCVI SC001)
Universit£ degli Studi di Firenze

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:  451nM ΔG°:  -35.6kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Methanosarcina thermophila)
Universit£ degli Studi di Firenze

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:  473nM ΔG°:  -35.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
Affinity DataKi:  500nM ΔG°:  -35.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26990(CHEMBL1644699 | HS anion | HS(-1) | hydrogen(sulfi...)
Show InChI InChI=1S/H2S/h1H2/p-1
Affinity DataKi:  600nM ΔG°:  -34.9kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM60995(BDBM50401535 | CNO- | fulminate ion)
Show SMILES [O-][N+]#[C-]
Show InChI InChI=1S/CNO/c1-2-3/q-1
Affinity DataKi:  700nM ΔG°:  -34.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26985(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
Affinity DataKi:  1.20E+3nM ΔG°:  -33.2kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-carbonic anhydrase(Helicobacter pylori (strain G27))
Universit£ degli Studi di Firenze

LigandPNGBDBM50010231(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
Affinity DataKi:  5.00E+3nM ΔG°:  -29.7kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26996(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Affinity DataKi:  7.00E+3nM ΔG°:  -28.9kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26995(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Affinity DataKi:  8.00E+3nM ΔG°:  -28.6kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50278320(CHEMBL2069541 | CHEMBL448089 | sodium selenocyanat...)
Show SMILES [N-]=C=[Se]
Show InChI InChI=1S/CNSe/c2-1-3/q-1
Affinity DataKi:  8.50E+3nM ΔG°:  -28.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50278323(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
Affinity DataKi:  8.70E+3nM ΔG°:  -28.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50278323(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
Affinity DataKi:  8.80E+3nM ΔG°:  -28.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
Affinity DataKi:  2.00E+4nM ΔG°:  -26.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26994(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Affinity DataKi:  2.10E+4nM ΔG°:  -26.3kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26997(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
Affinity DataKi:  2.30E+4nM ΔG°:  -26.0kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM60995(BDBM50401535 | CNO- | fulminate ion)
Show SMILES [O-][N+]#[C-]
Show InChI InChI=1S/CNO/c1-2-3/q-1
Affinity DataKi:  3.00E+4nM ΔG°:  -25.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26994(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Affinity DataKi:  3.10E+4nM ΔG°:  -25.3kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
Affinity DataKi:  3.30E+4nM ΔG°:  -25.1kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26990(CHEMBL1644699 | HS anion | HS(-1) | hydrogen(sulfi...)
Show InChI InChI=1S/H2S/h1H2/p-1
Affinity DataKi:  4.00E+4nM ΔG°:  -24.7kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM50010231(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
Affinity DataKi:  4.30E+4nM ΔG°:  -24.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26995(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Affinity DataKi:  5.40E+4nM ΔG°:  -23.9kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26991(CHEMBL1689285 | HSO3- | bisulfite | hydrogen sulfi...)
Show SMILES OS([O-])=O
Show InChI InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
Affinity DataKi:  6.80E+4nM ΔG°:  -23.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-carbonic anhydrase(Helicobacter pylori (strain G27))
Universit£ degli Studi di Firenze

LigandPNGBDBM26995(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Affinity DataKi:  7.30E+4nM ΔG°:  -23.2kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26990(CHEMBL1644699 | HS anion | HS(-1) | hydrogen(sulfi...)
Show InChI InChI=1S/H2S/h1H2/p-1
Affinity DataKi:  7.40E+4nM ΔG°:  -23.2kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM60995(BDBM50401535 | CNO- | fulminate ion)
Show SMILES [O-][N+]#[C-]
Show InChI InChI=1S/CNO/c1-2-3/q-1
Affinity DataKi:  7.50E+4nM ΔG°:  -23.1kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26985(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
Affinity DataKi:  7.60E+4nM ΔG°:  -23.1kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26997(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
Affinity DataKi:  7.90E+4nM ΔG°:  -23.0kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetAlpha-carbonic anhydrase(Helicobacter pylori (strain G27))
Universit£ degli Studi di Firenze

LigandPNGBDBM26994(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Affinity DataKi:  8.00E+4nM ΔG°:  -23.0kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetGamma carbonic anhydrase family protein(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26996(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Affinity DataKi:  8.10E+4nM ΔG°:  -23.0kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50278319(CHEMBL502764 | sodium persulfate)
Show SMILES [O-]S(=O)(=O)OOS([O-])(=O)=O
Show InChI InChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2
Affinity DataKi:  8.40E+4nM ΔG°:  -22.9kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetGamma carbonic anhydrase family protein(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26995(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Affinity DataKi:  8.40E+4nM ΔG°:  -22.9kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...More data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26996(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Affinity DataKi:  8.50E+4nM ΔG°:  -22.8kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26994(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Affinity DataKi:  8.60E+4nM ΔG°:  -22.8kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50278320(CHEMBL2069541 | CHEMBL448089 | sodium selenocyanat...)
Show SMILES [N-]=C=[Se]
Show InChI InChI=1S/CNSe/c2-1-3/q-1
Affinity DataKi:  8.60E+4nM ΔG°:  -22.8kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetGamma carbonic anhydrase family protein(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26994(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Affinity DataKi:  8.70E+4nM ΔG°:  -22.8kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...More data for this Ligand-Target Pair
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM50278323(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
Affinity DataKi:  8.80E+4nM ΔG°:  -22.8kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetGamma carbonic anhydrase family protein(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26997(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
Affinity DataKi:  9.10E+4nM ΔG°:  -22.7kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...More data for this Ligand-Target Pair
TargetAlpha-carbonic anhydrase(Helicobacter pylori (strain G27))
Universit£ degli Studi di Firenze

LigandPNGBDBM26996(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Affinity DataKi:  9.70E+4nM ΔG°:  -22.5kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50344898(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
Affinity DataKi:  1.01E+5nM ΔG°:  -22.4kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50278319(CHEMBL502764 | sodium persulfate)
Show SMILES [O-]S(=O)(=O)OOS([O-])(=O)=O
Show InChI InChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2
Affinity DataKi:  1.07E+5nM ΔG°:  -22.3kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM50278318(CHEMBL444819 | sodium perrhenate(VII))
Show SMILES [O-][Re](=O)(=O)=O
Show InChI InChI=1S/4O.Re/q;;;-1;
Affinity DataKi:  1.10E+5nM ΔG°:  -22.2kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM62293(SCN- | thiocyanate ion)
Show SMILES [S-]C#N
Show InChI InChI=1S/CHNS/c2-1-3/h3H/p-1
Affinity DataKi:  2.00E+5nM ΔG°:  -20.8kJ/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 220 total ) | Next | Last >>
Jump to: