Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Homo sapiens | apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G | Starlite/ChEMBL | No references |
Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
Homo sapiens | APOBEC3A and APOBEC3B deletion hybrid | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | carboxylesterase 5A | 0.0663 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0663 | 0.5 | 0.5 |
Brugia malayi | Carboxylesterase family protein | 0.0663 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0663 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0663 | 0.5 | 0.5 |
Loa Loa (eye worm) | carboxylesterase | 0.0663 | 0.5 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0663 | 0.5 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0663 | 0.5 | 0.5 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0663 | 0.5 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0663 | 0.5 | 0.5 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0663 | 0.5 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0663 | 0.5 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 6.18 uM | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] | ChEMBL. | No reference |
IC50 (functional) | = 18.7 uM | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitors via a A3G counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] | ChEMBL. | No reference |
Potency (functional) | 0.0517 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 21.3349 uM | PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
Potency (functional) | 84.9214 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | 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.