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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
