VE-821 [Ligand Id: 8042] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1766779 |
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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 I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay | B | 4.3 | pKi | >50000 | nM | Ki | Eur J Med Chem (2017) 127: 691-702 [PMID:27823879] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay | B | 4.3 | pKi | >50000 | nM | Ki | Eur J Med Chem (2017) 127: 691-702 [PMID:27823879] |
| carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay | B | 4.3 | pKi | >50000 | nM | Ki | Eur J Med Chem (2017) 127: 691-702 [PMID:27823879] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay | B | 4.3 | pKi | >50000 | nM | Ki | Eur J Med Chem (2017) 127: 691-702 [PMID:27823879] |
| protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527] | ||||||||
| ChEMBL | Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay | B | 5.36 | pIC50 | 4400 | nM | IC50 | J Med Chem (2011) 54: 2320-2330 [PMID:21413798] |
| ChEMBL | Inhibition of DNA-PK | B | 7.59 | pIC50 | 26 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 5352-5359 [PMID:22835870] |
| ATM serine/threonine kinase/Serine-protein kinase ATM in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3797] [GtoPdb: 1934] [UniProtKB: Q13315] | ||||||||
| ChEMBL | Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay | B | 5.1 | pIC50 | >8000 | nM | IC50 | J Med Chem (2011) 54: 2320-2330 [PMID:21413798] |
| ATR serine/threonine kinase/Serine-protein kinase ATR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5024] [GtoPdb: 1935] [UniProtKB: Q13535] | ||||||||
| GtoPdb | - | - | 7.89 | pKi | 13 | nM | Ki | Nat Chem Biol (2011) 7: 428-30 [PMID:21490603] |
| ChEMBL | Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay | B | 7.59 | pIC50 | 26 | nM | IC50 | J Med Chem (2011) 54: 2320-2330 [PMID:21413798] |
ChEMBL data shown on this page come from version 34:
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]
