Found 41 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 9
(Homo sapiens (Human)) | BDBM50153971
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50153964
(4-((4,6-diethoxy-1,3,5-triazin-2-ylamino)methyl)be...)Show InChI InChI=1S/C14H19N5O4S/c1-3-22-13-17-12(18-14(19-13)23-4-2)16-9-10-5-7-11(8-6-10)24(15,20)21/h5-8H,3-4,9H2,1-2H3,(H2,15,20,21)(H,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50144819
(2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...)Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22) | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50144825
(CHEMBL75620 | N-(2-Bromo-4-sulfamoyl-phenyl)-2,3,5...)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1 Show InChI InChI=1S/C13H7BrF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247706
(3-(2-amino-3-cyano-1H-pyrrolo[3,2-b]quinoxalin-1-y...)Show SMILES Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H12N6O2S/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)19)10-4-3-5-11(8-10)26(20,24)25/h1-8H,19H2,(H2,20,24,25) | PDB
MMDB
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247773
(4-(3-(4-sulfamoylphenethyl)thioureido)benzoic acid...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C16H17N3O4S2/c17-25(22,23)14-7-1-11(2-8-14)9-10-18-16(24)19-13-5-3-12(4-6-13)15(20)21/h1-8H,9-10H2,(H,20,21)(H2,17,22,23)(H2,18,19,24) | PDB
MMDB
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
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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PC cid
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| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50144819
(2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...)Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10877
(4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...)Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12) | PDB
MMDB
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CHEMBL
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| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(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
MMDB
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KEGG
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50125190
(CHEMBL268809 | Quinoline-8-sulfonic acid amide | q...)Show InChI InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13) | PDB
MMDB
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CHEMBL
MCE
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PC sid
PDB
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| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(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
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| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247720
(3-chloro-N-(4-sulfamoylphenethyl)benzo[b]thiophene...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1 Show InChI InChI=1S/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23) | PDB
MMDB
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247774
(1,4-phenylene disulfamate | CHEMBL461964)Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 61.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50153964
(4-((4,6-diethoxy-1,3,5-triazin-2-ylamino)methyl)be...)Show InChI InChI=1S/C14H19N5O4S/c1-3-22-13-17-12(18-14(19-13)23-4-2)16-9-10-5-7-11(8-6-10)24(15,20)21/h5-8H,3-4,9H2,1-2H3,(H2,15,20,21)(H,16,17,18,19) | PDB
MMDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50144825
(CHEMBL75620 | N-(2-Bromo-4-sulfamoyl-phenyl)-2,3,5...)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1 Show InChI InChI=1S/C13H7BrF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247760
(4-(bis(4-methylpiperidin-1-yl)amino)-N-(4-sulfamoy...)Show SMILES CC1CCN(CC1)N(CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H37N5O3S/c1-18-9-14-25(15-10-18)27(26-16-11-19(2)12-17-26)13-3-4-22(28)24-20-5-7-21(8-6-20)31(23,29)30/h5-8,18-19H,3-4,9-17H2,1-2H3,(H,24,28)(H2,23,29,30) | PDB
MMDB
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Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247721
(4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide |...)Show InChI InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18) | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50153971
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16) | PDB
MMDB
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10877
(4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...)Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12) | PDB
MMDB
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CHEMBL
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| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50125190
(CHEMBL268809 | Quinoline-8-sulfonic acid amide | q...)Show InChI InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13) | PDB
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PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
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
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PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247760
(4-(bis(4-methylpiperidin-1-yl)amino)-N-(4-sulfamoy...)Show SMILES CC1CCN(CC1)N(CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H37N5O3S/c1-18-9-14-25(15-10-18)27(26-16-11-19(2)12-17-26)13-3-4-22(28)24-20-5-7-21(8-6-20)31(23,29)30/h5-8,18-19H,3-4,9-17H2,1-2H3,(H,24,28)(H2,23,29,30) | PDB
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UniChem
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PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247719
(2-(1,3-dioxoisoindolin-2-yl)-N-(4-sulfamoylpheneth...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H17N3O5S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)(H2,19,25,26) | PDB
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247721
(4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide |...)Show InChI InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18) | PDB
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247706
(3-(2-amino-3-cyano-1H-pyrrolo[3,2-b]quinoxalin-1-y...)Show SMILES Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H12N6O2S/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)19)10-4-3-5-11(8-10)26(20,24)25/h1-8H,19H2,(H2,20,24,25) | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247722
(2-(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]t...)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 Show InChI InChI=1S/C21H22N4O4S3/c1-2-11-25-20(27)18-15-5-3-4-6-16(15)31-19(18)24-21(25)30-12-17(26)23-13-7-9-14(10-8-13)32(22,28)29/h2,7-10H,1,3-6,11-12H2,(H,23,26)(H2,22,28,29) | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247773
(4-(3-(4-sulfamoylphenethyl)thioureido)benzoic acid...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C16H17N3O4S2/c17-25(22,23)14-7-1-11(2-8-14)9-10-18-16(24)19-13-5-3-12(4-6-13)15(20)21/h1-8H,9-10H2,(H,20,21)(H2,17,22,23)(H2,18,19,24) | PDB
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247774
(1,4-phenylene disulfamate | CHEMBL461964)Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12) | PDB
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| 643 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247719
(2-(1,3-dioxoisoindolin-2-yl)-N-(4-sulfamoylpheneth...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H17N3O5S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)(H2,19,25,26) | PDB
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| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50247721
(4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide |...)Show InChI InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18) | PDB
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| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
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
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247720
(3-chloro-N-(4-sulfamoylphenethyl)benzo[b]thiophene...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1 Show InChI InChI=1S/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23) | PDB
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| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247705
(4-((3-(2-phenylcyclopropyl)ureido)methyl)benzenesu...)Show InChI InChI=1S/C17H19N3O3S/c18-24(22,23)14-8-6-12(7-9-14)11-19-17(21)20-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H2,18,22,23)(H2,19,20,21) | PDB
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| 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50247705
(4-((3-(2-phenylcyclopropyl)ureido)methyl)benzenesu...)Show InChI InChI=1S/C17H19N3O3S/c18-24(22,23)14-8-6-12(7-9-14)11-19-17(21)20-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H2,18,22,23)(H2,19,20,21) | PDB
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| 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50247722
(2-(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]t...)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 Show InChI InChI=1S/C21H22N4O4S3/c1-2-11-25-20(27)18-15-5-3-4-6-16(15)31-19(18)24-21(25)30-12-17(26)23-13-7-9-14(10-8-13)32(22,28)29/h2,7-10H,1,3-6,11-12H2,(H,23,26)(H2,22,28,29) | PDB
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| 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50247719
(2-(1,3-dioxoisoindolin-2-yl)-N-(4-sulfamoylpheneth...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H17N3O5S/c19-27(25,26)13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)(H2,19,25,26) | PDB
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PubMed
| 4.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50247720
(3-chloro-N-(4-sulfamoylphenethyl)benzo[b]thiophene...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1 Show InChI InChI=1S/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23) | PDB
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PubMed
| 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50247706
(3-(2-amino-3-cyano-1H-pyrrolo[3,2-b]quinoxalin-1-y...)Show SMILES Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H12N6O2S/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)19)10-4-3-5-11(8-10)26(20,24)25/h1-8H,19H2,(H2,20,24,25) | PDB
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| 8.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50247705
(4-((3-(2-phenylcyclopropyl)ureido)methyl)benzenesu...)Show InChI InChI=1S/C17H19N3O3S/c18-24(22,23)14-8-6-12(7-9-14)11-19-17(21)20-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H2,18,22,23)(H2,19,20,21) | PDB
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| Article
PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50247722
(2-(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]t...)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 Show InChI InChI=1S/C21H22N4O4S3/c1-2-11-25-20(27)18-15-5-3-4-6-16(15)31-19(18)24-21(25)30-12-17(26)23-13-7-9-14(10-8-13)32(22,28)29/h2,7-10H,1,3-6,11-12H2,(H,23,26)(H2,22,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
Bioorg Med Chem 17: 553-7 (2009)
Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B |
More data for this
Ligand-Target Pair | |
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