Found 90 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299301
(4-(2-hydroxy-5-methoxybenzylideneamino)benzenesulf...)Show InChI InChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+ | PDB
MMDB
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299302
(4-((benzylideneamino)methyl)benzenesulfonamide | C...)Show InChI InChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+ | PDB
MMDB
Reactome pathway
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PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013773
(CHEMBL3264982)Show InChI InChI=1S/C19H26N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,21H,12-14H2,1-3H3,(H2,20,22,23) | PDB
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| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299305
(4-((2-hydroxy-5-methoxybenzylideneamino)methyl)ben...)Show InChI InChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+ | PDB
MMDB
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013762
(CHEMBL3264975)Show InChI InChI=1S/C14H14N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,10,17H,9H2,(H2,15,18,19);1H/b16-10+; | PDB
MMDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299303
(4-((4-tert-butylbenzylideneamino)methyl)benzenesul...)Show SMILES CC(C)(C)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N2O2S/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22/h4-12H,13H2,1-3H3,(H2,19,21,22)/b20-12+ | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013770
(CHEMBL3264979)Show InChI InChI=1S/C15H16N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,16,18,19)/b17-12+ | PDB
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013772
(CHEMBL3264981)Show SMILES CC(C)(C)c1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H24N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,14H,12-13H2,1-3H3,(H2,20,22,23)/b21-14+ | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50229571
(4-(4-hydroxy-benzylideneamino)-benzenesulfonamide ...)Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-9,16H,(H2,14,17,18)/b15-9+ | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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) | PDB
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PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013777
(CHEMBL3264985)Show InChI InChI=1S/C16H18N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+ | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013792
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+ | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013790
(CHEMBL3264968)Show InChI InChI=1S/C17H22N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21) | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013789
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013759
(CHEMBL3264974)Show SMILES Cl.CC(C)(C)c1ccc(CNCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O2S.ClH/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22;/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22);1H | PDB
MMDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013757
(CHEMBL3264970)Show InChI InChI=1S/C14H16N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19) | PDB
MMDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013759
(CHEMBL3264974)Show SMILES Cl.CC(C)(C)c1ccc(CNCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O2S.ClH/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22;/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22);1H | PDB
MMDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013791
(CHEMBL3264969)Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-8,15-16H,9H2,(H2,14,17,18) | PDB
MMDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013758
(CHEMBL3264972)Show InChI InChI=1S/C14H16N2O2S.ClH/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h1-9,16H,10-11H2,(H2,15,17,18);1H | PDB
MMDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013790
(CHEMBL3264968)Show InChI InChI=1S/C17H22N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21) | PDB
MMDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10883
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013758
(CHEMBL3264972)Show InChI InChI=1S/C14H16N2O2S.ClH/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h1-9,16H,10-11H2,(H2,15,17,18);1H | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013774
(CHEMBL3264983)Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)15-7-3-12(4-8-15)9-10-17-11-13-1-5-14(18)6-2-13/h1-8,11,18H,9-10H2,(H2,16,19,20)/b17-11+ | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013792
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+ | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013773
(CHEMBL3264982)Show InChI InChI=1S/C19H26N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,21H,12-14H2,1-3H3,(H2,20,22,23) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013778
(CHEMBL3264986)Show InChI InChI=1S/C16H20N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10,18-19H,8-9,11H2,1H3,(H2,17,20,21) | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299301
(4-(2-hydroxy-5-methoxybenzylideneamino)benzenesulf...)Show InChI InChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+ | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013767
(CHEMBL3264978)Show InChI InChI=1S/C15H18N2O4S.ClH/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20;/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20);1H | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013778
(CHEMBL3264986)Show InChI InChI=1S/C16H20N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10,18-19H,8-9,11H2,1H3,(H2,17,20,21) | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013779
(4-Benzylamino-Benzoic Acid | CHEMBL32051)Show InChI InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17) | PDB
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013765
(CHEMBL3264976)Show InChI InChI=1S/C14H16N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,16-17H,9-10H2,(H2,15,18,19);1H | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013771
(CHEMBL3264980)Show InChI InChI=1S/C15H18N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H2,16,18,19) | PDB
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| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013777
(CHEMBL3264985)Show InChI InChI=1S/C16H18N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+ | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299303
(4-((4-tert-butylbenzylideneamino)methyl)benzenesul...)Show SMILES CC(C)(C)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N2O2S/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22/h4-12H,13H2,1-3H3,(H2,19,21,22)/b20-12+ | PDB
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013762
(CHEMBL3264975)Show InChI InChI=1S/C14H14N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,10,17H,9H2,(H2,15,18,19);1H/b16-10+; | PDB
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| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299300
(4-(4-tert-butylbenzylideneamino)benzenesulfonamide...)Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+ | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50229571
(4-(4-hydroxy-benzylideneamino)-benzenesulfonamide ...)Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-9,16H,(H2,14,17,18)/b15-9+ | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013765
(CHEMBL3264976)Show InChI InChI=1S/C14H16N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,16-17H,9-10H2,(H2,15,18,19);1H | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299300
(4-(4-tert-butylbenzylideneamino)benzenesulfonamide...)Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+ | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013757
(CHEMBL3264970)Show InChI InChI=1S/C14H16N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19) | PDB
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299305
(4-((2-hydroxy-5-methoxybenzylideneamino)methyl)ben...)Show InChI InChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+ | PDB
MMDB
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| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013776
(CHEMBL3264984)Show InChI InChI=1S/C15H18N2O3S/c16-21(19,20)15-7-3-12(4-8-15)9-10-17-11-13-1-5-14(18)6-2-13/h1-8,17-18H,9-11H2,(H2,16,19,20) | PDB
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| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299302
(4-((benzylideneamino)methyl)benzenesulfonamide | C...)Show InChI InChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+ | PDB
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| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50229543
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+ | PDB
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013774
(CHEMBL3264983)Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)15-7-3-12(4-8-15)9-10-17-11-13-1-5-14(18)6-2-13/h1-8,11,18H,9-10H2,(H2,16,19,20)/b17-11+ | PDB
MMDB
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| CHEMBL
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013781
(CHEMBL3264962)Show InChI InChI=1S/C14H13NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-8,15-16H,9H2,(H,17,18) | PDB
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| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013789
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17) | PDB
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| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013779
(4-Benzylamino-Benzoic Acid | CHEMBL32051)Show InChI InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17) | PDB
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| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013767
(CHEMBL3264978)Show InChI InChI=1S/C15H18N2O4S.ClH/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20;/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20);1H | PDB
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| 131 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013785
(CHEMBL3264966)Show InChI InChI=1S/C15H15NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-9,16-17H,10H2,1H3 | PDB
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| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013782
(CHEMBL3264963)Show InChI InChI=1S/C15H15NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19) | PDB
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| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013784
(CHEMBL3264965)Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-9-5-14(6-10-16)13-20-17-11-7-15(8-12-17)18(21)22-4/h5-12,20H,13H2,1-4H3 | PDB
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| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013771
(CHEMBL3264980)Show InChI InChI=1S/C15H18N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H2,16,18,19) | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10861
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10860
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)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) | PDB
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013780
(CHEMBL3264961)Show InChI InChI=1S/C18H21NO2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(20)21/h4-11,19H,12H2,1-3H3,(H,20,21) | PDB
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| 185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013782
(CHEMBL3264963)Show InChI InChI=1S/C15H15NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19) | PDB
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| CHEMBL
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013783
(CHEMBL3264964)Show InChI InChI=1S/C15H15NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3 | PDB
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| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013781
(CHEMBL3264962)Show InChI InChI=1S/C14H13NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-8,15-16H,9H2,(H,17,18) | PDB
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| CHEMBL
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| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013785
(CHEMBL3264966)Show InChI InChI=1S/C15H15NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-9,16-17H,10H2,1H3 | PDB
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Reactome pathway
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| CHEMBL
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| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013787
(CHEMBL3264967)Show InChI InChI=1S/C16H17NO4/c1-20-14-7-8-15(18)12(9-14)10-17-13-5-3-11(4-6-13)16(19)21-2/h3-9,17-18H,10H2,1-2H3 | PDB
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Reactome pathway
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| CHEMBL
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| 228 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013776
(CHEMBL3264984)Show InChI InChI=1S/C15H18N2O3S/c16-21(19,20)15-7-3-12(4-8-15)9-10-17-11-13-1-5-14(18)6-2-13/h1-8,17-18H,9-11H2,(H2,16,19,20) | PDB
MMDB
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| CHEMBL
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PubMed
| 236 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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) | PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013784
(CHEMBL3264965)Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-9-5-14(6-10-16)13-20-17-11-7-15(8-12-17)18(21)22-4/h5-12,20H,13H2,1-4H3 | PDB
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| CHEMBL
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PubMed
| 252 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013780
(CHEMBL3264961)Show InChI InChI=1S/C18H21NO2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(20)21/h4-11,19H,12H2,1-3H3,(H,20,21) | PDB
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| CHEMBL
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| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10857
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) | PDB
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PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50229543
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+ | PDB
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| 311 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013772
(CHEMBL3264981)Show SMILES CC(C)(C)c1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H24N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,14H,12-13H2,1-3H3,(H2,20,22,23)/b21-14+ | PDB
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| CHEMBL
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| 665 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50013770
(CHEMBL3264979)Show InChI InChI=1S/C15H16N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,16,18,19)/b17-12+ | PDB
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| CHEMBL
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| 678 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013791
(CHEMBL3264969)Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-8,15-16H,9H2,(H2,14,17,18) | PDB
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| CHEMBL
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| 702 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299297
(CHEMBL572526 | methyl 4-(4-tert-butylbenzylideneam...)Show InChI InChI=1S/C19H21NO2/c1-19(2,3)16-9-5-14(6-10-16)13-20-17-11-7-15(8-12-17)18(21)22-4/h5-13H,1-4H3/b20-13+ | PDB
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| CHEMBL
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PubMed
| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299298
(CHEMBL575341 | methyl 4-(4-hydroxybenzylideneamino...)Show InChI InChI=1S/C15H13NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-10,17H,1H3/b16-10+ | PDB
MMDB
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| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299296
(CHEMBL574452 | methyl 4-(benzylideneamino)benzoate)Show InChI InChI=1S/C15H13NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+ | PDB
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| 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10883
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299292
(4-(benzylideneamino)benzoic acid | CHEMBL567820)Show InChI InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+ | PDB
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| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299295
(4-(2-hydroxy-5-methoxybenzylideneamino)benzoic aci...)Show InChI InChI=1S/C15H13NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+ | PDB
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| 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299298
(CHEMBL575341 | methyl 4-(4-hydroxybenzylideneamino...)Show InChI InChI=1S/C15H13NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-10,17H,1H3/b16-10+ | PDB
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013787
(CHEMBL3264967)Show InChI InChI=1S/C16H17NO4/c1-20-14-7-8-15(18)12(9-14)10-17-13-5-3-11(4-6-13)16(19)21-2/h3-9,17-18H,10H2,1-2H3 | PDB
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Reactome pathway
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| CHEMBL
PC cid
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PubMed
| 5.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299299
(CHEMBL575342 | methyl 4-(2-hydroxy-5-methoxybenzyl...)Show InChI InChI=1S/C16H15NO4/c1-20-14-7-8-15(18)12(9-14)10-17-13-5-3-11(4-6-13)16(19)21-2/h3-10,18H,1-2H3/b17-10+ | PDB
MMDB
NCI pathway
Reactome pathway
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 7.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299297
(CHEMBL572526 | methyl 4-(4-tert-butylbenzylideneam...)Show InChI InChI=1S/C19H21NO2/c1-19(2,3)16-9-5-14(6-10-16)13-20-17-11-7-15(8-12-17)18(21)22-4/h5-13H,1-4H3/b20-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299293
(4-(4-tert-butylbenzylideneamino)benzoic acid | CHE...)Show InChI InChI=1S/C18H19NO2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(20)21/h4-12H,1-3H3,(H,20,21)/b19-12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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Similars
| Article
PubMed
| 8.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299296
(CHEMBL574452 | methyl 4-(benzylideneamino)benzoate)Show InChI InChI=1S/C15H13NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+ | PDB
MMDB
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PubMed
| 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299293
(4-(4-tert-butylbenzylideneamino)benzoic acid | CHE...)Show InChI InChI=1S/C18H19NO2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(20)21/h4-12H,1-3H3,(H,20,21)/b19-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299299
(CHEMBL575342 | methyl 4-(2-hydroxy-5-methoxybenzyl...)Show InChI InChI=1S/C16H15NO4/c1-20-14-7-8-15(18)12(9-14)10-17-13-5-3-11(4-6-13)16(19)21-2/h3-10,18H,1-2H3/b17-10+ | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299295
(4-(2-hydroxy-5-methoxybenzylideneamino)benzoic aci...)Show InChI InChI=1S/C15H13NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+ | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10861
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
DrugBank
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PDB
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| MMDB
PDB
Article
PubMed
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299292
(4-(benzylideneamino)benzoic acid | CHEMBL567820)Show InChI InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50013783
(CHEMBL3264964)Show InChI InChI=1S/C15H15NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| Purchase
CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10860
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)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) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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MCE
KEGG
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UniChem
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| Article
PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10857
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay |
Bioorg Med Chem 22: 2867-74 (2014)
Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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