Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | epidermal growth factor receptor | Starlite/ChEMBL | No references |
Homo sapiens | kinase insert domain receptor | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0082 | 0.017 |
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0082 | 0.017 |
Echinococcus multilocularis | insulin growth factor 1 receptor beta | 0.0059 | 0.1241 | 0.2498 |
Onchocerca volvulus | Tyrosine kinase homolog | 0.0172 | 0.4452 | 1 |
Echinococcus multilocularis | insulin receptor | 0.0059 | 0.1241 | 0.2498 |
Echinococcus multilocularis | 0.0056 | 0.1161 | 0.2325 | |
Echinococcus granulosus | insulin receptor | 0.0059 | 0.1241 | 0.2627 |
Echinococcus granulosus | melanoma receptor tyrosine protein kinase | 0.0098 | 0.2355 | 0.4987 |
Schistosoma mansoni | tyrosine kinase | 0.0096 | 0.2297 | 0.4864 |
Schistosoma mansoni | tyrosine kinase | 0.0098 | 0.2355 | 0.4987 |
Schistosoma mansoni | tyrosine kinase | 0.0059 | 0.1241 | 0.2627 |
Echinococcus multilocularis | epidermal growth factor receptor | 0.0098 | 0.2355 | 0.4899 |
Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0367 | 1 | 0.5 |
Schistosoma mansoni | tyrosine kinase | 0.0096 | 0.2297 | 0.4864 |
Loa Loa (eye worm) | TK/INSR protein kinase | 0.0059 | 0.1241 | 0.2589 |
Schistosoma mansoni | tyrosine kinase | 0.0098 | 0.2355 | 0.4987 |
Echinococcus granulosus | roundabout 2 | 0.0018 | 0.0082 | 0.0173 |
Schistosoma mansoni | tyrosine kinase | 0.0181 | 0.4724 | 1 |
Echinococcus granulosus | epidermal growth factor receptor | 0.0098 | 0.2355 | 0.4987 |
Echinococcus granulosus | insulin growth factor 1 receptor beta | 0.0059 | 0.1241 | 0.2627 |
Loa Loa (eye worm) | TK/EGFR protein kinase | 0.0181 | 0.4724 | 0.9853 |
Mycobacterium ulcerans | hypothetical protein | 0.0367 | 1 | 0.5 |
Schistosoma mansoni | tyrosine kinase | 0.0059 | 0.1241 | 0.2627 |
Echinococcus granulosus | epidermal growth factor receptor | 0.0181 | 0.4724 | 1 |
Mycobacterium tuberculosis | Conserved protein | 0.0367 | 1 | 0.5 |
Schistosoma mansoni | tyrosine kinase | 0.0096 | 0.2297 | 0.4864 |
Mycobacterium leprae | conserved hypothetical protein | 0.0367 | 1 | 0.5 |
Loa Loa (eye worm) | TK/KIN16 protein kinase | 0.0184 | 0.4794 | 1 |
Brugia malayi | Furin-like cysteine rich region family protein | 0.0181 | 0.4724 | 0.9801 |
Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0184 | 0.4794 | 1 |
Echinococcus multilocularis | epidermal growth factor receptor | 0.0181 | 0.4724 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0367 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 47 nM | BindingDB_Patents: Tyrosine Kinase Assay. EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhibitor cellular activity test S.O.P.A typical kinase inhibition reaction requires a protein tyrosine kinase, a suitable buffer solution system, a peptide substrate and ATP. In the present EGFR tyrosine kinase assay, a buffer solution system containing 20 mM HEPES (pH 7.4), 5 mM MgCl2 and 2 mM MnCl2; 50 uM Na3VO4; 50 ng/10 ul EGFR (Proquinase); 100 uM ATP; and 10 ng/ml poly(Glu, Tyr) (4:1, Sigma) as a substrate were used.First, 10 ul of EGFR was added to each well of a 96-well plate, 10 ul of the test compounds diluted as described in Test Example 2 (Examples 1 to 173) was added to each well, and the plate was incubated at room temperature for 10 min. The compounds of Test Example 1 were used as control compounds at a concentration of 0.0001 to 10 uM. | ChEMBL. | No reference |
IC50 (binding) | = 47 nM | BindingDB_Patents: Tyrosine Kinase Assay. EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhibitor cellular activity test S.O.P.A typical kinase inhibition reaction requires a protein tyrosine kinase, a suitable buffer solution system, a peptide substrate and ATP. In the present EGFR tyrosine kinase assay, a buffer solution system containing 20 mM HEPES (pH 7.4), 5 mM MgCl2 and 2 mM MnCl2; 50 uM Na3VO4; 50 ng/10 ul EGFR (Proquinase); 100 uM ATP; and 10 ng/ml poly(Glu, Tyr) (4:1, Sigma) as a substrate were used.First, 10 ul of EGFR was added to each well of a 96-well plate, 10 ul of the test compounds diluted as described in Test Example 2 (Examples 1 to 173) was added to each well, and the plate was incubated at room temperature for 10 min. The compounds of Test Example 1 were used as control compounds at a concentration of 0.0001 to 10 uM. | ChEMBL. | No reference |
IC50 (binding) | = 129 nM | BindingDB_Patents: Tyrosine Kinase Assay. VEGFR2 (KDR, Proquinase) enzyme assay (auto-phosphorylation assay) was carried out by using Tyrosine Kinase Assay Kit Green (Panvera). The entire assay was conducted in accordance with VEGFR PTK inhibitor cellular activity test S.O.P.A typical kinase inhibition reaction requires a protein tyrosine kinase, a suitable buffer solution system, a peptide substrate and ATP. In the present VEGFR tyrosine kinase assay, a buffer solution system containing 20 mM HEPES (pH 7.4), 5 mM MgCl2 and 2 mM MnCl2; 50 uM Na3VO4; 200 ng/10 ul VEGFR (Proquinase); 5 uM ATP; and 10 ng/ml poly(Glu, Tyr) (4:1, Sigma) as a substrate were used.First, 10 ul of VEGFR was added to each well of a 96-well plate, 10 ul of the test compounds diluted as described in Test Example 2 (Examples 1 to 173) was added to each well, and the plate was incubated at room temperature for 10 min. The compounds of Test Example 1 were used as control compounds at a concentration of 0.0001 to 10 uM. | 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.