Ro31-8220 [Ligand Id: 5259] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL6291 (Ro-318220) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| chymotrypsinogen B1/Beta-chymotrypsin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4796] [GtoPdb: 3272] [UniProtKB: P17538] | ||||||||
| ChEMBL | Inhibitory activity against Chymotrypsinogen from Thermus flavus | B | 4.7 | pIC50 | 20000 | nM | IC50 | J Med Chem (2003) 46: 1478-1483 [PMID:12672248] |
| cyclin dependent kinase 12/CDK12/Cyclin K in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106169] [GtoPdb: 1965] [UniProtKB: O75909, Q9NYV4] | ||||||||
| ChEMBL | Inhibition of CDK12/Cyclin K (unknown origin) preincubated for 10 mins followed by substrate and ATP addition measured after 200 mins by ADP-Glo luminescence assay | B | 6.84 | pIC50 | 143.1 | nM | IC50 | Eur J Med Chem (2023) 250: 115199-115199 [PMID:36827953] |
| cyclin dependent kinase 13/Cyclin-dependent kinase 13/Cyclin-K in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4296067] [GtoPdb: 1966] [UniProtKB: O75909, Q14004] | ||||||||
| ChEMBL | Inhibition of CDK13/Cyclin K (unknown origin) preincubated for 10 mins followed by substrate and ATP addition measured after 200 mins by ADP-Glo luminescence assay | B | 6.69 | pIC50 | 206.4 | nM | IC50 | Eur J Med Chem (2023) 250: 115199-115199 [PMID:36827953] |
| glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841] | ||||||||
| ChEMBL | Inhibition of His-tagged human GSK3b expressed in Sf21 cells | B | 7.42 | pIC50 | 38 | nM | IC50 | Biochem J (2000) 351: 95-105 [PMID:10998351] |
| ChEMBL | Inhibition of GSK3-beta | B | 8.52 | pIC50 | 3 | nM | IC50 | Trends Pharmacol Sci (2004) 25: 471-480 [PMID:15559249] |
| ChEMBL | Inhibition of human GSK3-beta | B | 8.55 | pIC50 | 2.8 | nM | IC50 | Eur J Med Chem (2009) 44: 2361-2371 [PMID:18929433] |
| ChEMBL | Inhibition of human GSK3-beta | B | 8.55 | pIC50 | 2.8 | nM | IC50 | Eur J Med Chem (2009) 44: 2361-2371 [PMID:18929433] |
| glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3669] [GtoPdb: 2030] [UniProtKB: P18266] | ||||||||
| ChEMBL | Inhibition of Wistar rat GSK-3beta using RRAAEELDSRAGS(P)PQL as substrate after 15 mins in presence of [gamma-32P]-ATP by scintillation counting method | B | 8.17 | pIC50 | 6.8 | nM | IC50 | Bioorg Med Chem (2018) 26: 4209-4224 [PMID:30026041] |
| homeodomain interacting protein kinase 1/Homeodomain-interacting protein kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5427] [GtoPdb: 2033] [UniProtKB: Q86Z02] | ||||||||
| ChEMBL | Inhibition of human HIPK1 using MBP as substrate by [gamma-33P]-ATP assay | B | 6.21 | pIC50 | 621 | nM | IC50 | Eur J Med Chem (2019) 161: 456-467 [PMID:30384048] |
| Malate dehydrogenase in Thermus thermophilus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4255] [UniProtKB: P10584] | ||||||||
| ChEMBL | Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus | B | 4.35 | pIC50 | 45000 | nM | IC50 | J Med Chem (2003) 46: 1478-1483 [PMID:12672248] |
| mitogen-activated protein kinase kinase kinase 8/Mitogen-activated protein kinase kinase kinase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4899] [GtoPdb: 2083] [UniProtKB: P41279] | ||||||||
| ChEMBL | Inhibition of human COT1 using MEK1 as substrate by [gamma-33P]-ATP assay | B | 5 | pIC50 | 9950 | nM | IC50 | Eur J Med Chem (2019) 161: 456-467 [PMID:30384048] |
| mitogen-activated protein kinase kinase kinase kinase 1/Mitogen-activated protein kinase kinase kinase kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5749] [GtoPdb: 2085] [UniProtKB: Q92918] | ||||||||
| ChEMBL | Inhibition of human HPK1 using MBP as substrate by [gamma-33P]-ATP assay | B | 7.28 | pIC50 | 52.9 | nM | IC50 | Eur J Med Chem (2019) 161: 456-467 [PMID:30384048] |
| NAD-dependent deacetylase HST2 in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5933] [UniProtKB: P53686] | ||||||||
| ChEMBL | Inhibition of yeast Hst2 by fluorimetric assay | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem (2009) 17: 7031-7041 [PMID:19734050] |
| sirtuin 1/NAD-dependent deacetylase sirtuin 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4506] [GtoPdb: 2707] [UniProtKB: Q96EB6] | ||||||||
| ChEMBL | Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem (2009) 17: 7031-7041 [PMID:19734050] |
| ChEMBL | Inhibition of human SIRT1 by radioactive deacetylase assay | B | 5.29 | pIC50 | 5100 | nM | IC50 | J Med Chem (2006) 49: 7307-7316 [PMID:17149860] |
| ChEMBL | Inhibition of human SIRT1 | B | 5.46 | pIC50 | 3500 | nM | IC50 | J Med Chem (2006) 49: 7307-7316 [PMID:17149860] |
| ChEMBL | Inhibition of human SIRT1 by fluorescent deacetylase assay | B | 5.46 | pIC50 | 3500 | nM | IC50 | J Med Chem (2006) 49: 7307-7316 [PMID:17149860] |
| ChEMBL | Inhibition of human recombinant N-terminally GST-tagged Sirt1 expressed in Escherichia coli using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay | B | 5.46 | pIC50 | 3500 | nM | IC50 | Bioorg Med Chem (2011) 19: 3669-3677 [PMID:21315612] |
| sirtuin 2/NAD-dependent deacetylase sirtuin 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4462] [GtoPdb: 2708] [UniProtKB: Q8IXJ6] | ||||||||
| ChEMBL | Inhibition of human recombinant SIRT2 by radioactive deacetylase assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2006) 49: 7307-7316 [PMID:17149860] |
| ChEMBL | Inhibition of human recombinant SIRT2 | B | 6.1 | pIC50 | 800 | nM | IC50 | J Med Chem (2006) 49: 7307-7316 [PMID:17149860] |
| ChEMBL | Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay | B | 6.1 | pIC50 | 800 | nM | IC50 | J Med Chem (2006) 49: 7307-7316 [PMID:17149860] |
| ChEMBL | Inhibition of human N-terminally His6-tagged Sirt2 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay | B | 6.1 | pIC50 | 800 | nM | IC50 | Bioorg Med Chem (2011) 19: 3669-3677 [PMID:21315612] |
| sirtuin 3/NAD-dependent deacetylase sirtuin 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4461] [GtoPdb: 2709] [UniProtKB: Q9NTG7] | ||||||||
| ChEMBL | Inhibition of human C-terminally His6-tagged Sirt3 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay | B | 5.43 | pIC50 | 3700 | nM | IC50 | Bioorg Med Chem (2011) 19: 3669-3677 [PMID:21315612] |
| protein kinase C alpha/Protein kinase C alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL299] [GtoPdb: 1482] [UniProtKB: P17252] | ||||||||
| ChEMBL | Inhibition of Protein kinase C alpha | B | 7.48 | pIC50 | 33 | nM | IC50 | J Med Chem (2003) 46: 1478-1483 [PMID:12672248] |
| ChEMBL | Inhibition of His-tagged human PKCalpha expressed in Escherichia coli | B | 7.48 | pIC50 | 33 | nM | IC50 | Biochem J (2000) 351: 95-105 [PMID:10998351] |
| ribosomal protein S6 kinase B1/Ribosomal protein S6 kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4501] [GtoPdb: 1525] [UniProtKB: P23443] | ||||||||
| ChEMBL | Inhibition of His-tagged human S6K1 expressed in Escherichia coli | B | 7.82 | pIC50 | 15 | nM | IC50 | Biochem J (2000) 351: 95-105 [PMID:10998351] |
| ribosomal protein S6 kinase A1/Ribosomal protein S6 kinase alpha 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2553] [GtoPdb: 1527] [UniProtKB: Q15418] | ||||||||
| ChEMBL | Inhibition of RSK1 (unknown origin) | B | 6.7 | pIC50 | 200 | nM | IC50 | Eur J Med Chem (2023) 251: 115229-115229 [PMID:36898330] |
| ribosomal protein S6 kinase A2/Ribosomal protein S6 kinase alpha 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3906] [GtoPdb: 1529] [UniProtKB: Q15349] | ||||||||
| ChEMBL | Inhibition of N-terminal His6 tagged full-length human recombinant active RSK2 using S6 peptide after 20 mins by fluorescence assay | B | 8 | pIC50 | 10 | nM | IC50 | Medchemcomm (2016) 7: 292-296 |
| ribosomal protein S6 kinase A3/Ribosomal protein S6 kinase alpha 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2345] [GtoPdb: 1528] [UniProtKB: P51812] | ||||||||
| ChEMBL | Inhibition of RSK2 after 60 mins | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2011) 54: 3564-3574 [PMID:21488662] |
| ribosomal protein S6 kinase A5/Ribosomal protein S6 kinase alpha 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4237] [GtoPdb: 1523] [UniProtKB: O75582] | ||||||||
| ChEMBL | Inhibition of His-tagged human MSK1 expressed in Sf9 cells | B | 8.1 | pIC50 | 8 | nM | IC50 | Biochem J (2000) 351: 95-105 [PMID:10998351] |
| serine/threonine kinase 10/Serine/threonine-protein kinase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3981] [GtoPdb: 2211] [UniProtKB: O94804] | ||||||||
| ChEMBL | Inhibition of STK10 (unknown origin) expressed in Sf9 cells assessed as transfer of radiolabelled phosphate group from ATP by reaction biology method | B | 7 | pIC50 | 99 | nM | IC50 | J Med Chem (2021) 64: 13259-13278 [PMID:34463505] |
| Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase PIM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309] | ||||||||
| ChEMBL | Binding affinity to non phosphorylated PIM1 | B | 8.1 | pKd | 8 | nM | Kd | J Med Chem (2005) 48: 7604-7614 [PMID:16302800] |
| VRK serine/threonine kinase 1/Serine/threonine-protein kinase VRK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293199] [GtoPdb: 2275] [UniProtKB: Q99986] | ||||||||
| ChEMBL | Inhibition of human VRK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay | B | 6.13 | pIC50 | 743 | nM | IC50 | Eur J Med Chem (2019) 161: 456-467 [PMID:30384048] |
| VRK serine/threonine kinase 2/Serine/threonine-protein kinase VRK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1649059] [GtoPdb: 2276] [UniProtKB: Q86Y07] | ||||||||
| ChEMBL | Inhibition of human VRK2 using casein as substrate by [gamma-33P]-ATP assay | B | 4.79 | pIC50 | 16400 | nM | IC50 | Eur J Med Chem (2019) 161: 456-467 [PMID:30384048] |
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]
