aminopurvalanol A [Ligand Id: 5927] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL286721 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| casein kinase 1 alpha 1/Casein kinase I isoform alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2793] [GtoPdb: 1995] [UniProtKB: P48729] | ||||||||
| ChEMBL | Inhibition of human CK1alpha incubated for 30 mins in presence of ATP by ADP-GLO reagent based multimode microplate reader analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2025) 68: 7615-7629 [PMID:40110855] |
| casein kinase 1 delta/Casein kinase I isoform delta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2828] [GtoPdb: 1997] [UniProtKB: P48730] | ||||||||
| ChEMBL | Inhibition of human CK1delta transfected in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K10 tracer by NanoBRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2025) 68: 7615-7629 [PMID:40110855] |
| casein kinase 1 epsilon/Casein kinase I isoform epsilon in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674] | ||||||||
| ChEMBL | Inhibition of human CK1epsilon transfected in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K8 tracer by NanoBRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2025) 68: 7615-7629 [PMID:40110855] |
| cyclin dependent kinase 1/cyclin B1/Cyclin-dependent kinase 1/cyclin B in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094127] [GtoPdb: 1961, 3352] [UniProtKB: O95067, P06493, P14635, Q8WWL7] | ||||||||
| ChEMBL | In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex from starfish oocytes | B | 7.46 | pIC50 | 35 | nM | IC50 | J Med Chem (2000) 43: 1282-1292 [PMID:10753466] |
| GtoPdb | CDK1 in association with cyclin B | - | 7.48 | pIC50 | 33 | nM | IC50 | Proc Natl Acad Sci USA (2007) 104: 20523-8 [PMID:18077363] |
| ChEMBL | In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex from starfish oocytes | B | 7.48 | pIC50 | 33 | nM | IC50 | J Med Chem (2000) 43: 1282-1292 [PMID:10753466] |
| cyclin dependent kinase 2/cyclin A1/Cyclin-dependent kinase 2/cyclin A in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094128] [GtoPdb: 1973, 3351] [UniProtKB: P20248, P24941, P78396] | ||||||||
| ChEMBL | Inhibition of human CDK2/cyclinA using histone H1 as substrate incubated for 30 mins in presence of gamma[32P]ATP by phosphoimaging analysis | B | 7.3 | pIC50 | <50 | nM | IC50 | Eur J Med Chem (2016) 112: 298-346 [PMID:26907156] |
| GtoPdb | CDK2 in association with cyclin E | - | 7.55 | pIC50 | 28 | nM | IC50 | Proc Natl Acad Sci USA (2007) 104: 20523-8 [PMID:18077363] |
| CDC like kinase 1/Dual specificity protein kinase CLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759] | ||||||||
| ChEMBL | Inhibition of CLK mediated SF3B1 activation in human SK-MEL-2 cells assessed as MDM2-pre mRNA exon skipping after 4 hrs by luciferase reporter gene assay relative to control | B | 4.92 | pEC50 | 12000 | nM | EC50 | Bioorg Med Chem Lett (2017) 27: 406-412 [PMID:28049589] |
| mitogen-activated protein kinase 14/Mitogen-activated protein kinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539] | ||||||||
| ChEMBL | Inhibition of human P38alpha incubated for 30 mins in presence of ATP by ADP-GLO reagent based multimode microplate reader analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2025) 68: 7615-7629 [PMID:40110855] |
| Serine/threonine protein kinase YCK2 in Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6196188] [UniProtKB: A0A1D8PKB4] | ||||||||
| ChEMBL | Inhibition of N-terminal NLuc fused YCK2 (S37 to N345 residues) in Candida albicans transfected in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of MN-Bodipy tracer by NanoBRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2025) 68: 7615-7629 [PMID:40110855] |
| ChEMBL | Inhibition of recombinant Yck2 in Candida albicans incubated for 30 mins in presence of ATP by ADP-GLO reagent based multimode microplate reader analysis | B | 5.1 | pIC50 | >8000 | nM | IC50 | J Med Chem (2025) 68: 7615-7629 [PMID:40110855] |
| cyclin dependent kinase 5 in Human [GtoPdb: 1977] [UniProtKB: Q00535] | ||||||||
| GtoPdb | CDK5 p35 | - | 7.7 | pIC50 | 20 | nM | IC50 | Proc Natl Acad Sci USA (2007) 104: 20523-8 [PMID:18077363] |
ChEMBL data shown on this page come from version 37:
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]
