hesperadin [Ligand Id: 8354] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL514409 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| protein kinase AMP-activated catalytic subunit alpha 1/5`-AMP-activated protein kinase catalytic subunit alpha-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4045] [GtoPdb: 1541] [UniProtKB: Q13131] | ||||||||
| ChEMBL | Binding affinity to human AMPKA1 | B | 7.72 | pKd | 19 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| aurora kinase A/Aurora kinase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Inhibition of human Aurora kinase A/TPX2 complex using gamma-[32P]ATP incubated for 1 hr by autoradiography | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2012) 55: 7841-7848 [PMID:22920039] |
| aurora kinase B/Aurora kinase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2185] [GtoPdb: 1937] [UniProtKB: Q96GD4] | ||||||||
| GtoPdb | - | - | 6.6 | pIC50 | 250 | nM | IC50 | J Cell Biol (2003) 161: 281-94 [PMID:12707311] |
| ChEMBL | Inhibition of Aurora-B immunoprecipitated from mitotic cells | F | 6.6 | pIC50 | 250 | nM | IC50 | J Med Chem (2006) 49: 955-970 [PMID:16451062] |
| ChEMBL | Inhibition of aurora B kinase | B | 6.6 | pIC50 | 250 | nM | IC50 | J Med Chem (2009) 52: 2629-2651 [PMID:19320489] |
| ChEMBL | Inhibition of recombinant human full-length His-tagged Aurora B expressed in baculovirus expression system using 5-FAM-LRRASLG-CONH2 as substrate preincubated for 60 mins followed by substrate addition by microfluidic assay | B | 6.6 | pIC50 | 250 | nM | IC50 | Eur J Med Chem (2020) 203: 112589-112589 [PMID:32717530] |
| ChEMBL | Inhibition of aurora B kinase (unknown origin) | B | 6.6 | pIC50 | 250 | nM | IC50 | J Med Chem (2022) 65: 893-921 [PMID:33539089] |
| ChEMBL | Inhibition of Aurora B in human HeLa cells using histone H1 as substrate | B | 6.6 | pIC50 | 250 | nM | IC50 | Eur J Med Chem (2024) 268: 116255-116255 [PMID:38401190] |
| ChEMBL | Inhibition of human Aurora kinase B/INCEP complex expressed in Escherichia coli BL21 (DE3) using gamma-[32P]ATP incubated for 1 hr by autoradiography | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2012) 55: 7841-7848 [PMID:22920039] |
| Aurora kinase B-A in Xenopus laevis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2176838] [UniProtKB: Q6DE08] | ||||||||
| ChEMBL | Inhibition of Xenopus laevis Aurora kinase B/INCEP complex using gamma-[32P]ATP incubated for 1 hr by autoradiography | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2012) 55: 7841-7848 [PMID:22920039] |
| protein tyrosine kinase 2/Focal adhesion kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2695] [GtoPdb: 2180] [UniProtKB: Q05397] | ||||||||
| ChEMBL | Binding affinity to human FAK | B | 7.48 | pKd | 33 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| Glucose transporter in Leishmania mexicana (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3431938] [UniProtKB: O61059] | ||||||||
| ChEMBL | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro | F | 5.95 | pIC50 | 1114 | nM | IC50 | St. Jude Leishmania screening dataset. |
| Hexose transporter 1 in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4697] [UniProtKB: O97467] | ||||||||
| ChEMBL | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro | F | 5.87 | pIC50 | 1344 | nM | IC50 | St. Jude Leishmania screening dataset. |
| leukocyte receptor tyrosine kinase/Leukocyte tyrosine kinase receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5627] [GtoPdb: 1838] [UniProtKB: P29376] | ||||||||
| ChEMBL | Binding affinity to human LTK | B | 7.28 | pKd | 52 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| maternal embryonic leucine zipper kinase/Maternal embryonic leucine zipper kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4578] [GtoPdb: 2102] [UniProtKB: Q14680] | ||||||||
| ChEMBL | Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting method | B | 6.65 | pIC50 | 225 | nM | IC50 | Bioorg Med Chem (2017) 25: 2609-2616 [PMID:28351607] |
| ChEMBL | MELK Inhibitor Library Screening assay: MELK and its substrate, Bcl-G were both recombinantly expressed and purified for use in screening assays (See Methods). 752 compounds from an in-house curated inhibitor library were subjected to a p81-based kinase assay. 10 nM MELK 340 and 10 μM Bcl-GL in kinase assay buffer (50 mM HEPES pH 7.5, 100 mM KCl, 0.1 mM EDTA, 0.1 mM EGTA, 10 mM MgCl2, 10 μg/mL BSA) with 10 mM DTT were added to either 10 μM or 1 μM inhibitor aliquoted into 96 well plates (final 1% DMSO). The mixture was incubated at room temperature for 30 minutes prior to initiation of the assay with 40 μM γ-32P-ATP (100-1000 CPM/pmol). 40 μL aliquots were spotted onto a p81 96 well filter plate (Unifilter, Whatman), quenched, and washed with 75 mM O-phosphoric acid 8 times, followed by a final wash with acetone for drying. Wells were then filled with scintillation fluid, sealed, and quantified using a MicroBeta TriLux liquid scintillation counter (PerkinElmer). Each inhibitor plate was assayed in duplicate, with at least 4 wells without MELK to establish background and at least 4 wells without inhibitor as a negative control. All readings were corrected for background signal based on the average counts from the wells without enzyme. Percent inhibition, defined as [100−(CPM+inhibitor/average CPM of positive controls)*100], was determined first at 10 μM inhibitor. The top 50 inhibitors were then re-screened in duplicate at 1 μM. | B | 6.65 | pIC50 | 225 | nM | IC50 | US-10981896-B2. Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase (2021) |
| tyrosine kinase 2/Non-receptor tyrosine-protein kinase TYK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3553] [GtoPdb: 2269] [UniProtKB: P29597] | ||||||||
| ChEMBL | Binding affinity to human TYK2 | B | 7.12 | pKd | 75 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum W2 assessed as growth inhibition after 72 hrs by SYBR Green dye-based fluorescence assay | F | 7.68 | pEC50 | 21 | nM | EC50 | Medchemcomm (2014) 5: 655-658 [PMID:24910766] |
| ChEMBL | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum C2B assessed as growth inhibition after 72 hrs by SYBR Green dye-based fluorescence assay | F | 7.85 | pEC50 | 14 | nM | EC50 | Medchemcomm (2014) 5: 655-658 [PMID:24910766] |
| ChEMBL | Antiprotozoal activity against chloroquine/mefloquine/pyrimethamine-resistant Plasmodium falciparum C235 assessed as growth inhibition after 72 hrs by SYBR Green dye-based fluorescence assay | F | 8 | pEC50 | 10 | nM | EC50 | Medchemcomm (2014) 5: 655-658 [PMID:24910766] |
| ChEMBL | Antiprotozoal activity against Plasmodium falciparum D6 assessed as growth inhibition after 72 hrs by SYBR Green dye-based fluorescence assay | F | 8 | pEC50 | 10 | nM | EC50 | Medchemcomm (2014) 5: 655-658 [PMID:24910766] |
| protein tyrosine kinase 2 beta/Protein-tyrosine kinase 2-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5469] [GtoPdb: 2181] [UniProtKB: Q14289] | ||||||||
| ChEMBL | Binding affinity to human PYK2 | B | 8 | pKd | 10 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| c-ros oncogene 1, receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase ROS in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5568] [GtoPdb: 1840] [UniProtKB: P08922] | ||||||||
| ChEMBL | Binding affinity to human ROS | B | 7.11 | pKd | 77 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| ribosomal protein S6 kinase A4/Ribosomal protein S6 kinase alpha-4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3125] [GtoPdb: 1524] [UniProtKB: O75676] | ||||||||
| ChEMBL | Binding affinity to human MSK2 | B | 7.03 | pKd | 94 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| ribosomal protein S6 kinase A5/Ribosomal protein S6 kinase alpha-5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4237] [GtoPdb: 1523] [UniProtKB: O75582] | ||||||||
| ChEMBL | Binding affinity to human MSK1 | B | 7.51 | pKd | 31 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| serine/threonine kinase 24/Serine/threonine-protein kinase 24 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5082] [GtoPdb: 2217] [UniProtKB: Q9Y6E0] | ||||||||
| ChEMBL | Inhibition of MST3 (unknown origin) | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2024) 67: 3813-3842 [PMID:38422480] |
| serine/threonine-protein kinase MST4/Serine/threonine-protein kinase 26 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5941] [GtoPdb: 2287] [UniProtKB: Q9P289] | ||||||||
| ChEMBL | Inhibition of MST4 (unknown origin) | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2024) 67: 3813-3842 [PMID:38422480] |
| BR serine/threonine kinase 2/Serine/threonine-protein kinase BRSK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4574] [GtoPdb: 1947] [UniProtKB: Q8IWQ3] | ||||||||
| ChEMBL | Binding affinity to human BRSK2 | B | 7.04 | pKd | 92 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| p21 (RAC1) activated kinase 2/Serine/threonine-protein kinase PAK 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4487] [GtoPdb: 2134] [UniProtKB: Q13177] | ||||||||
| ChEMBL | Binding affinity to human PAK2 | B | 4.85 | pKd | 14000 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
| Glucose transporter 1/Solute carrier family 2, facilitated glucose transporter member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166] | ||||||||
| ChEMBL | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro | F | 5.84 | pIC50 | 1434 | nM | IC50 | St. Jude Leishmania screening dataset. |
| FES proto-oncogene, tyrosine kinase/Tyrosine-protein kinase Fes/Fps in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5455] [GtoPdb: 2023] [UniProtKB: P07332] | ||||||||
| ChEMBL | Binding affinity to human FES | B | 6.83 | pKd | 149 | nM | Kd | J Med Chem (2008) 51: 7898-7914 [PMID:19035792] |
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]
