Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
Homo sapiens | polymerase (DNA directed) iota | 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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | acetylcholinesterase | 0.0986 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0986 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0986 | 1 | 1 |
Echinococcus granulosus | geminin | 0.0205 | 0.0464 | 0.0464 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0986 | 1 | 1 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0167 | 0 | 0.5 |
Onchocerca volvulus | 0.0167 | 0 | 0.5 | |
Echinococcus multilocularis | acetylcholinesterase | 0.0986 | 1 | 1 |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.0167 | 0 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0986 | 1 | 1 |
Onchocerca volvulus | 0.0167 | 0 | 0.5 | |
Onchocerca volvulus | 0.0167 | 0 | 0.5 | |
Onchocerca volvulus | 0.0167 | 0 | 0.5 | |
Echinococcus granulosus | carboxylesterase 5A | 0.0986 | 1 | 1 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0167 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0986 | 1 | 1 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0167 | 0 | 0.5 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0167 | 0 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0986 | 1 | 1 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0986 | 1 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0986 | 1 | 1 |
Onchocerca volvulus | 0.0167 | 0 | 0.5 | |
Echinococcus multilocularis | geminin | 0.0205 | 0.0464 | 0.0464 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.0464 | 0.0464 |
Schistosoma mansoni | hypothetical protein | 0.0205 | 0.0464 | 0.0464 |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.0167 | 0 | 0.5 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0986 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 0.3663 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) | 0.631 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Potency (functional) | 6.5733 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) | 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 (ADMET) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (functional) | 89.1251 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) | = 125.8925 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | 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.