Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | beta-site APP-cleaving enzyme 1 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Plasmodium falciparum | plasmepsin VII | beta-site APP-cleaving enzyme 1 | 401 aa | 352 aa | 21.3 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | inhibitor of apoptosis protein | 0.0213 | 0.3841 | 0.3841 |
Schistosoma mansoni | hypothetical protein | 0.0167 | 0.2921 | 0.2921 |
Plasmodium vivax | aspartyl proteinase, putative | 0.0021 | 0 | 0.5 |
Echinococcus granulosus | inhibitor of apoptosis protein | 0.0213 | 0.3841 | 1 |
Plasmodium falciparum | plasmepsin X | 0.0021 | 0 | 0.5 |
Plasmodium falciparum | plasmepsin I | 0.0021 | 0 | 0.5 |
Toxoplasma gondii | eukaryotic aspartyl protease superfamily protein | 0.0021 | 0 | 0.5 |
Plasmodium vivax | plasmepsin V, putative | 0.0021 | 0 | 0.5 |
Trichomonas vaginalis | Clan AA, family A1, cathepsin D-like aspartic peptidase | 0.0021 | 0 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0167 | 0.2921 | 0.2921 |
Plasmodium falciparum | plasmepsin V | 0.0021 | 0 | 0.5 |
Toxoplasma gondii | aspartyl proteinase (eimepsin), putative | 0.0021 | 0 | 0.5 |
Onchocerca volvulus | 0.0213 | 0.3841 | 1 | |
Echinococcus granulosus | geminin | 0.0167 | 0.2921 | 0.7605 |
Toxoplasma gondii | aspartyl protease | 0.0021 | 0 | 0.5 |
Echinococcus granulosus | baculoviral IAP repeat containing protein | 0.0213 | 0.3841 | 1 |
Plasmodium vivax | plasmepsin IV, putative | 0.0021 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0213 | 0.3841 | 1 |
Plasmodium vivax | aspartyl protease, putative | 0.0021 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0213 | 0.3841 | 1 |
Schistosoma mansoni | inhibitor of apoptosis (iap) domain family member | 0.0213 | 0.3841 | 0.3841 |
Schistosoma mansoni | hypothetical protein | 0.0213 | 0.3841 | 0.3841 |
Plasmodium falciparum | plasmepsin VII | 0.0021 | 0 | 0.5 |
Plasmodium falciparum | plasmepsin III | 0.0021 | 0 | 0.5 |
Plasmodium falciparum | plasmepsin IV | 0.0021 | 0 | 0.5 |
Toxoplasma gondii | aspartyl protease ASP1 | 0.0021 | 0 | 0.5 |
Toxoplasma gondii | aspartyl protease ASP3 | 0.0021 | 0 | 0.5 |
Brugia malayi | Inhibitor of Apoptosis domain containing protein | 0.0213 | 0.3841 | 1 |
Plasmodium falciparum | plasmepsin II | 0.0021 | 0 | 0.5 |
Plasmodium falciparum | plasmepsin IX | 0.0021 | 0 | 0.5 |
Echinococcus multilocularis | baculoviral IAP repeat containing protein | 0.0213 | 0.3841 | 1 |
Echinococcus multilocularis | inhibitor of apoptosis protein | 0.0213 | 0.3841 | 1 |
Plasmodium falciparum | plasmepsin VI | 0.0021 | 0 | 0.5 |
Echinococcus multilocularis | geminin | 0.0167 | 0.2921 | 0.7605 |
Plasmodium vivax | aspartyl protease, putative | 0.0021 | 0 | 0.5 |
Plasmodium vivax | aspartyl protease, putative | 0.0021 | 0 | 0.5 |
Plasmodium falciparum | plasmepsin VIII, putative | 0.0021 | 0 | 0.5 |
Plasmodium vivax | aspartyl proteinase, putative | 0.0021 | 0 | 0.5 |
Brugia malayi | Inhibitor of Apoptosis domain containing protein | 0.0213 | 0.3841 | 1 |
Onchocerca volvulus | Deterin homolog | 0.0213 | 0.3841 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 6.9 nM | Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by FRET assay | ChEMBL. | 22468684 |
IC50 (binding) | = 9.8 nM | Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production after overnight incubation by sandwich ELISA | ChEMBL. | 22468684 |
IC50 (ADMET) | = 100 nM | Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by HPLC-MS analysis | ChEMBL. | 22468684 |
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.
1 literature reference was collected for this gene.