hesperadin [Ligand Id: 8354] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL514409 (TCMDC-135395) |
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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/AMP-activated protein kinase, alpha-1 subunit 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 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] |
| BR serine/threonine kinase 2/BR serine/threonine-protein kinase 2 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] |
| 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. |
| Glucose transporter 1/Glucose transporter 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. |
| 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] |
| 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] |
| Plasmodium falciparum D6 (target type: ORGANISM) [ChEMBL: CHEMBL2367107] | ||||||||
| 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] |
| aurora kinase A/Serine/threonine-protein kinase Aurora-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/Serine/threonine-protein kinase Aurora-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 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] |
| 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] |
| FES proto-oncogene, tyrosine kinase/Tyrosine-protein kinase FES 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] |
| tyrosine kinase 2/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] |
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]
