Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | mitogen-activated protein kinase kinase kinase 5 | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | mitogen activated protein kinase kinase kinase | 0.0249 | 1 | 0.5 |
Schistosoma mansoni | protein kinase | 0.0249 | 1 | 0.5 |
Trypanosoma cruzi | STE/STE11 serine/threonine-protein kinase, putative | 0.0075 | 0.0021 | 0.5 |
Trypanosoma cruzi | STE/STE11 serine/threonine-protein kinase, putative | 0.0075 | 0.0021 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0249 | 0.9979 | 1 |
Schistosoma mansoni | protein kinase | 0.0249 | 1 | 0.5 |
Echinococcus multilocularis | mitogen activated protein kinase kinase kinase | 0.0249 | 1 | 0.5 |
Loa Loa (eye worm) | STE/STE11/ASK protein kinase | 0.0075 | 0.0021 | 0.0021 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 55 nM | BindingDB_Patents: Scintillation Assay. The test compounds (2.5 µL) dissolved in DMSO were added to wells containing 37.5 µL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM magnesium acetate, 1 mM DTT) including 30 ng of active ASK1 protein and 1 µg of myelin basic protein (Wako), and incubated at room temperature for 5 min. To start the reaction, 10 µL of ATP solution (2.5 µM ATP, 0.1 µCi [¿-32P]ATP) was added to wells. After incubating at room temperature for 30 min, the reaction was terminated by adding 50 µL of 20% TCA solution. The reaction solution was incubated at 4° C. for 30 min and an acid-insoluble fraction was transferred onto a GF/C filter (Packard) with Cell Harvester (Packard), and washed with 250 mM phosphoric acid. After drying at 45° C. for 60 min., 40 µL of Microscint 0 (Packard) was added and the radioactivity was measured with TopCount (Packard). | ChEMBL. | No reference |
IC50 (binding) | = 64 nM | BindingDB_Patents: Homogeneous Time-Resolved Fluorescence Assay. The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM ASK1, 1 uM CisBio STK S3-biotion peptide, 100 uM ATP, and 1%-2% DMSO in kinase assay buffer of 50 mM HEPES, pH 7.3, 10 mM NaCl, 10 mM MgCl2, 0.01% Brij35, 0.2 mM EDTA, and 1 mM DTT. Reaction product is determined quantitatively by HTRF after the addition of detection reagent SA-XL665 and STK-antibody-cryptate.The assay reaction may be initiated as follows: 2 ul of the mixture of 3 uM CisBio STK S3-biotion peptide and 300 uM ATP with 2 ul of test compound (2 fold serial dilutions for 11 data points for each inhibitor) containing 3%-6% DMSO are added to each well of the plate, followed by the addition of 2 uL of 75 nM ASK1 to initiate the reaction (final enzyme concentration was 25 nM for ASK1). The reaction mixture may then be incubated at room temperature for 1 hour, and quenched and developed. | ChEMBL. | No reference |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.