Found 15 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 12
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of tumor-associated transmembrane human carbonic anhydrase-12 after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50432380
(CHEMBL2348439)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C17H22N2O3S/c18-23(21,22)15-3-1-14(2-4-15)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)(H2,18,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of tumor-associated transmembrane human carbonic anhydrase-12 after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50323341
(CHEMBL1209039)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C14H20N4O3S2/c15-23(20,21)13-18-17-12(22-13)16-11(19)7-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,20,21)(H,16,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50432379
(CHEMBL2348438)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of tumor-associated transmembrane human carbonic anhydrase-12 after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50108563
(Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]t...)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |TLB:18:17:20:12.13.14,18:13:20:19.17.16| Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13? | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| MMDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | 3D Structure (docked) |
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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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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 Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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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 Florida
Curated by ChEMBL
| Assay Description Inhibition of tumor-associated transmembrane human carbonic anhydrase-9 after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50432380
(CHEMBL2348439)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C17H22N2O3S/c18-23(21,22)15-3-1-14(2-4-15)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)(H2,18,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of tumor-associated transmembrane human carbonic anhydrase-9 after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50432379
(CHEMBL2348438)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of tumor-associated transmembrane human carbonic anhydrase-9 after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50323341
(CHEMBL1209039)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C14H20N4O3S2/c15-23(20,21)13-18-17-12(22-13)16-11(19)7-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,20,21)(H,16,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50108563
(Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]t...)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |TLB:18:17:20:12.13.14,18:13:20:19.17.16| Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 3
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank Article PubMed
| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-3 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 3
(Homo sapiens (Human)) | BDBM50108563
(Adamantane-1-carboxylic acid (5-sulfamoyl-[1,3,4]t...)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1 |TLB:18:17:20:12.13.14,18:13:20:19.17.16| Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13? | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-3 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 3
(Homo sapiens (Human)) | BDBM50323341
(CHEMBL1209039)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C14H20N4O3S2/c15-23(20,21)13-18-17-12(22-13)16-11(19)7-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,20,21)(H,16,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-3 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | |