Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Brugia malayi | MH2 domain containing protein | SMAD family member 2 | 467 aa | 405 aa | 31.6 % |
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 |
---|---|---|---|---|
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.1879 | 0.5115 | 0.5 |
Echinococcus multilocularis | thymidylate synthase | 0.0484 | 0.1262 | 0.1194 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0484 | 0.1262 | 0.1194 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.0323 | 0.0323 |
Trichomonas vaginalis | conserved hypothetical protein | 0.023 | 0.0561 | 0.5 |
Onchocerca volvulus | 0.0484 | 0.1262 | 0.5 | |
Brugia malayi | thymidylate synthase | 0.0484 | 0.1262 | 0.1262 |
Echinococcus granulosus | thymidylate synthase | 0.0484 | 0.1262 | 0.1194 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1879 | 0.5115 | 0.5 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.1879 | 0.5115 | 1 |
Loa Loa (eye worm) | thymidylate synthase | 0.0484 | 0.1262 | 0.1262 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0484 | 0.1262 | 0.0743 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.1879 | 0.5115 | 0.5 |
Brugia malayi | hypothetical protein | 0.023 | 0.0561 | 0.0561 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1879 | 0.5115 | 0.5 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.0077 | 0.0077 |
Brugia malayi | MH2 domain containing protein | 0.0144 | 0.0323 | 0.0323 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.1879 | 0.5115 | 0.5 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.0323 | 0.0323 |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.0077 | 0.0077 |
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-cyp3a4 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-cyp1a2 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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | = 7.079457844 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 |
Potency (functional) | 0.092 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
Potency (functional) | 7.9433 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 11.2202 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
Potency (functional) | 13.1154 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 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | ||
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.