Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | tyrosine kinase | 0.0239747 | 0.254682 | 0.300397 |
Schistosoma mansoni | tyrosine kinase | 0.0242304 | 0.261182 | 0.308426 |
Schistosoma mansoni | tyrosine kinase | 0.0242304 | 0.261182 | 0.308426 |
Mycobacterium ulcerans | flavin-containing monoamine oxidase AofH | 0.0295769 | 0.397129 | 0.5 |
Mycobacterium ulcerans | flavin-containing monoamine oxidase AofH | 0.0295769 | 0.397129 | 0.5 |
Echinococcus multilocularis | epidermal growth factor receptor | 0.0242304 | 0.261182 | 0.261182 |
Loa Loa (eye worm) | TK/EGFR protein kinase | 0.0450973 | 0.79177 | 1 |
Brugia malayi | Furin-like cysteine rich region family protein | 0.0450973 | 0.79177 | 1 |
Echinococcus granulosus | kinesin family 1 | 0.0532865 | 1 | 1 |
Echinococcus multilocularis | insulin growth factor 1 receptor beta | 0.0144107 | 0.0114941 | 0.0114941 |
Schistosoma mansoni | tyrosine kinase | 0.0450973 | 0.79177 | 0.963832 |
Echinococcus multilocularis | insulin receptor | 0.0144107 | 0.0114941 | 0.0114941 |
Schistosoma mansoni | hypothetical protein | 0.0462488 | 0.82105 | 1 |
Echinococcus granulosus | melanoma receptor tyrosine protein kinase | 0.0242304 | 0.261182 | 0.252592 |
Echinococcus multilocularis | kinesin family 1 | 0.0532865 | 1 | 1 |
Schistosoma mansoni | tyrosine kinase | 0.0239747 | 0.254682 | 0.300397 |
Mycobacterium tuberculosis | Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) | 0.027494 | 0.344167 | 0.5 |
Echinococcus granulosus | epidermal growth factor receptor | 0.0242304 | 0.261182 | 0.252592 |
Echinococcus granulosus | epidermal growth factor receptor | 0.0450973 | 0.79177 | 0.789349 |
Echinococcus multilocularis | epidermal growth factor receptor | 0.0450973 | 0.79177 | 0.79177 |
Schistosoma mansoni | tyrosine kinase | 0.0239747 | 0.254682 | 0.300397 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 9.98 nM | Antimalarial activity against multi drug resistant Plasmodium falciparum TM91C235 after 72 hrs by MSF assay | ChEMBL. | 23815186 |
IC50 (ADMET) | = 6583 nM | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | ChEMBL. | 23815186 |
Inhibition (binding) | = 69 % | Inhibition of Clostridium botulinum recombinant BoNT/A light chain at 20 mM by reverse-phase HPLC analysis | ChEMBL. | 23815186 |
Ratio IC50 (functional) | = 2 | Ratio of artemisinin IC50 to compound IC50 against Plasmodium falciparum TM91C235 | ChEMBL. | 23815186 |
Ratio IC50 (functional) | > 3 | Ratio of chloroquine IC50 to compound IC50 against Plasmodium falciparum D6 | ChEMBL. | 23815186 |
Ratio IC50 (functional) | = 4 | Ratio of mefloquine IC50 to compound IC50 against Plasmodium falciparum TM91C235 | ChEMBL. | 23815186 |
T1/2 (ADMET) | = 60 min | Half life in mouse liver microsomes at 10 uM by LC-MS/MS analysis | ChEMBL. | 23815186 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | 23815186 | |
Plasmodium falciparum | ChEMBL23 | 23815186 |
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.