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| ChEMBL ligand: CHEMBL1055 (Chlortalidone, Chlortalidonum, Chlorthalidone, Chlorthalidone component of clorpres, Chlorthalidone component of combipres, Chlorthalidone component of demi-regroton, Chlorthalidone component of edarbyclor, Chlorthalidone component of kerledex, Chlorthalidone component of lopressidone, Chlorthalidone component of regroton, Chlorthalidone component of tenoretic, Clortalidona, G-33182, Hygroton, Natriuran, NSC-69200, Phthalamudine, Thalitone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| carbonic anhydrase 1/Carbonic anhydrase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of human recombinant full length CA1 by stopped-flow CO2 hydration method | B | 6.46 | pKi | 348 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| GtoPdb | - | - | 6.46 | pKi | 348 | nM | Ki | |
| ChEMBL | Known Inhibitors of Carbonic Anhydrase: Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), 199-229, 2004. Methods for determining the carbonic anhydrase inhibitory activity of a compound, i.e. whether a compound can be classified as a CAI, are known in the art and may usefully identify further compounds which may be suitable for use in the present invention. Exemplary methods and levels of activity required for consideration as CAIs are described in US 20020022245 and the references cited therein, the contents of which are incorporated herein by reference, in particular Supuran et al, European Journal of Medicinal Chemistry, 1998, 33, 577-594 and Scozzafava et al, Journal of Medicinal Chemistry, 1999, 42 25, 3690-3700). | B | 6.59 | pIC50 | 260 | nM | IC50 | US-10172837-B2. Insulin sensitisers and methods of treatment (2019) |
| carbonic anhydrase 12/Carbonic anhydrase 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method | B | 8.35 | pKi | 4.5 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| GtoPdb | - | - | 8.35 | pKi | 4.5 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-21 [PMID:19119014] |
| carbonic anhydrase 13/Carbonic anhydrase 13 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1] | ||||||||
| ChEMBL | Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method | B | 7.82 | pKi | 15 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| carbonic anhydrase 14/Carbonic anhydrase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7] | ||||||||
| GtoPdb | - | - | 5.38 | pKi | 4130 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-21 [PMID:19119014] |
| ChEMBL | Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method | B | 5.38 | pKi | 4130 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| carbonic anhydrase 2/Carbonic anhydrase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of human recombinant full length CA2 by stopped-flow CO2 hydration method | B | 6.86 | pKi | 138 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| ChEMBL | DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) | B | 6.17 | pIC50 | 677 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Carbonic anhydrase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451] | ||||||||
| ChEMBL | Inhibition of human recombinant full length CA3 by stopped-flow CO2 hydration method | B | 4.96 | pKi | 11000 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| carbonic anhydrase 4/Carbonic anhydrase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method | B | 6.71 | pKi | 196 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| GtoPdb | - | - | 6.71 | pKi | 196 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-21 [PMID:19119014] |
| carbonic anhydrase 5A/Carbonic anhydrase 5A, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218] | ||||||||
| ChEMBL | Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method | B | 6.04 | pKi | 917 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| Carbonic anhydrase 5B, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0] | ||||||||
| ChEMBL | Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method | B | 8.05 | pKi | 9 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| Carbonic anhydrase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280] | ||||||||
| ChEMBL | Inhibition of human recombinant full length CA6 by stopped-flow CO2 hydration method | B | 5.87 | pKi | 1347 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| carbonic anhydrase 7/Carbonic anhydrase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
| GtoPdb | - | - | 8.55 | pKi | 2.8 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-21 [PMID:19119014] |
| ChEMBL | Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method | B | 8.55 | pKi | 2.8 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| carbonic anhydrase 9/Carbonic anhydrase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method | B | 7.64 | pKi | 23 | nM | Ki | Bioorg Med Chem (2009) 17: 1214-1221 [PMID:19119014] |
| N-Acylphosphatidylethanolamine-phospholipase D in Human [GtoPdb: 1398] [UniProtKB: Q6IQ20] | ||||||||
| GtoPdb | Equilibrium dissociation constant determined in the presence of DCA | - | 6.17 | pKd | 680 | nM | Kd | Cell Chem Biol (2025) 32: 449-462.e5 [PMID:39999832] |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]