Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 | aldehyde dehydrogenase 1 family, member A1 | 501 aa | 456 aa | 33.3 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | lamin dm0 | 0.0032 | 0.2951 | 0.2879 |
Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.2591 | 0.8781 |
Loa Loa (eye worm) | intermediate filament protein | 0.0032 | 0.2951 | 1 |
Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0393 | 0.1333 |
Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0101 | 0.0342 |
Brugia malayi | intermediate filament protein | 0.0032 | 0.2951 | 1 |
Brugia malayi | hypothetical protein | 0.003 | 0.2591 | 0.8593 |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.2591 | 0.5 |
Trypanosoma brucei | PAB1-binding protein , putative | 0.003 | 0.2591 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.0027 | 0.212 | 0.6752 |
Onchocerca volvulus | 0.0032 | 0.2951 | 0.5 | |
Echinococcus multilocularis | lamin dm0 | 0.0032 | 0.2951 | 0.2879 |
Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.2951 | 1 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.2591 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.285 | 0.9658 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0.2591 | 0.5 |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0.2591 | 0.5 |
Echinococcus granulosus | lamin | 0.0032 | 0.2951 | 0.2879 |
Echinococcus multilocularis | lamin | 0.0032 | 0.2951 | 0.2879 |
Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 0.2591 | 0.5 |
Echinococcus multilocularis | musashi | 0.0032 | 0.2951 | 0.2879 |
Brugia malayi | Intermediate filament tail domain containing protein | 0.0032 | 0.2951 | 1 |
Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0032 | 0.2951 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0027 | 0.212 | 0.7185 |
Echinococcus granulosus | intermediate filament protein | 0.0032 | 0.2951 | 0.2879 |
Onchocerca volvulus | 0.0032 | 0.2951 | 0.5 | |
Brugia malayi | hypothetical protein | 0.0019 | 0.0766 | 0.1458 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | = 2.511886432 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 25.11886432 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
Potency (functional) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | ChEMBL. | No reference |
Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 |
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.