zinc pyrithione [Ligand Id: 2597] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1200471 (Head & shoulders conditioner, NSC-290409, Piritiona cincica, Pyrithione zinc, Pyrithione zinc derivative, Pyrithione zincique, Revlon zp11, Sebulon shampoo, Zincpolyanemine, Zinc pyridinethione, Zinc pyrithione, Zinc pyrithone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| carbonic anhydrase 12/Carbonic anhydrase 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.27 | pKi | 5400 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.27 | pKi | 5400 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| carbonic anhydrase 13/Carbonic anhydrase 13 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3912] [GtoPdb: 2748] [UniProtKB: Q8N1Q1] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.38 | pKi | 4150 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.38 | pKi | 4150 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| carbonic anhydrase 14/Carbonic anhydrase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.54 | pKi | 2910 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.54 | pKi | 2910 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| Carbonic anhydrase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.79 | pKi | 1620 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.79 | pKi | 1620 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| carbonic anhydrase 4/Carbonic anhydrase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.21 | pKi | 6130 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.21 | pKi | 6130 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| carbonic anhydrase 5A/Carbonic anhydrase 5A, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.29 | pKi | 5120 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.29 | pKi | 5120 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| Carbonic anhydrase 5B, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.45 | pKi | 3550 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.45 | pKi | 3550 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| Carbonic anhydrase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.62 | pKi | 2410 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.62 | pKi | 2410 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| carbonic anhydrase 7/Carbonic anhydrase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.11 | pKi | 7760 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.11 | pKi | 7760 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| carbonic anhydrase 9/Carbonic anhydrase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method | B | 5.76 | pKi | 1720 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method | B | 5.76 | pKi | 1720 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 2182-2185 [PMID:22365761] |
| Replicase polyprotein 1ab in Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295557] [UniProtKB: K9N7C7] | ||||||||
| ChEMBL | MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate | F | 5 | pIC50 | >10000 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
| ChEMBL | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate | F | 5.61 | pIC50 | 2460 | nM | IC50 | Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen |
| Kv7.1 in Human [GtoPdb: 560] [UniProtKB: P51787] | ||||||||
| GtoPdb | - | - | 5 | pEC50 | - | - | - | Nat Chem Biol (2007) 3: 287-96 [PMID:17435769] |
| Kv7.2 in Human [GtoPdb: 561] [UniProtKB: O43526] | ||||||||
| GtoPdb | - | - | 5.8 | pEC50 | - | - | - | Nat Chem Biol (2007) 3: 287-96 [PMID:17435769] |
| Kv7.4 in Human [GtoPdb: 563] [UniProtKB: P56696] | ||||||||
| GtoPdb | - | - | 5 | pEC50 | - | - | - | Nat Chem Biol (2007) 3: 287-96 [PMID:17435769] |
| Kv7.5 in Human [GtoPdb: 564] [UniProtKB: Q9NR82] | ||||||||
| GtoPdb | - | - | 5 | pEC50 | - | - | - | Nat Chem Biol (2007) 3: 287-96 [PMID:17435769] |
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]
