Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) | Starlite/ChEMBL | No references |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Plasmodium vivax | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0106 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0106 | 1 | 1 |
Onchocerca volvulus | Chorion peroxidase homolog | 0.0032 | 0 | 0.5 |
Mycobacterium tuberculosis | 1-acylglycerol-3-phosphate O-acyltransferase | 0.0106 | 1 | 1 |
Echinococcus granulosus | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0106 | 1 | 1 |
Onchocerca volvulus | Dual oxidase homolog | 0.0032 | 0 | 0.5 |
Plasmodium falciparum | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0106 | 1 | 0.5 |
Schistosoma mansoni | 1-acyl-sn-glycerol-3-phosphate o-acyltransferase | 0.0106 | 1 | 1 |
Loa Loa (eye worm) | acyltransferase | 0.0106 | 1 | 1 |
Onchocerca volvulus | Peroxidase homolog | 0.0032 | 0 | 0.5 |
Echinococcus granulosus | Phospholipid glycerol acyltransferase | 0.0106 | 1 | 1 |
Echinococcus multilocularis | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0106 | 1 | 1 |
Onchocerca volvulus | Peroxidasin homolog | 0.0032 | 0 | 0.5 |
Onchocerca volvulus | 0.0032 | 0 | 0.5 | |
Schistosoma mansoni | transcription factor | 0.0101 | 0.9412 | 0.9412 |
Treponema pallidum | lysophosphatidic acid acyltransferase | 0.0106 | 1 | 0.5 |
Mycobacterium ulcerans | 1-acylglycerol-3-phosphate O-acyltransferase | 0.0106 | 1 | 0.5 |
Toxoplasma gondii | acyltransferase domain-containing protein | 0.0106 | 1 | 0.5 |
Mycobacterium ulcerans | bifunctional transmembrane phospholipid biosynthesis enzyme PlsC | 0.0106 | 1 | 0.5 |
Wolbachia endosymbiont of Brugia malayi | 1-acyl-sn-glycerol-3-phosphate acyltransferase | 0.0106 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0106 | 1 | 1 |
Toxoplasma gondii | acyltransferase domain-containing protein | 0.0106 | 1 | 0.5 |
Echinococcus multilocularis | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0106 | 1 | 1 |
Echinococcus granulosus | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0106 | 1 | 1 |
Chlamydia trachomatis | glycerol-3-phosphate acyltransferase | 0.0106 | 1 | 0.5 |
Leishmania major | 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative | 0.0106 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0101 | 0.9412 | 0.9412 |
Echinococcus multilocularis | homeobox | 0.0101 | 0.9412 | 0.9412 |
Echinococcus granulosus | Msx-like | 0.0101 | 0.9412 | 0.9412 |
Mycobacterium leprae | POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI | 0.0106 | 1 | 0.5 |
Trypanosoma brucei | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0106 | 1 | 0.5 |
Trypanosoma cruzi | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0106 | 1 | 0.5 |
Echinococcus multilocularis | Phospholipid glycerol acyltransferase | 0.0106 | 1 | 1 |
Onchocerca volvulus | Peroxidase homolog | 0.0032 | 0 | 0.5 |
Onchocerca volvulus | Peroxidasin homolog | 0.0032 | 0 | 0.5 |
Onchocerca volvulus | 0.0032 | 0 | 0.5 | |
Onchocerca volvulus | 0.0032 | 0 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Clearance (ADMET) | = 13 ml min-1 g-1 | Plasama clearance of the compound was determined in rat | ChEMBL. | No reference |
Cmax (ADMET) | = 7.2 uM | Maximum concentration of the compound at 4 hr after administration of 5 mg/kg dose peroral in rat | ChEMBL. | No reference |
ED50 (functional) | = 1 mg kg-1 | Intrinsic activity of the compound was determined in the rat pyresis assay | ChEMBL. | No reference |
ED50 (functional) | = 1.7 mg kg-1 | Intrinsic activity of the compound was determined in the rat paw edema model | ChEMBL. | No reference |
F (ADMET) | ~ 100 % | Bioavailability of the compound was determined at 4 hr after administration of 5 mg/kg dose peroral in rat | ChEMBL. | No reference |
IC50 (binding) | = 2 | Inhibition of COX2 (unknown origin) expressed in CHO cells | ChEMBL. | No reference |
IC50 (binding) | = 0.01 uM | Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells | ChEMBL. | No reference |
IC50 (binding) | = 0.01 uM | Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells | ChEMBL. | No reference |
IC50 (binding) | = 2.3 uM | In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay | ChEMBL. | No reference |
IC50 (binding) | = 2.3 uM | In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay | ChEMBL. | No reference |
IC50 (binding) | = 43 uM | Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 1 in chinese hamster ovary (CHO) cells | ChEMBL. | No reference |
IC50 (binding) | = 43 uM | Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 1 in chinese hamster ovary (CHO) cells | ChEMBL. | No reference |
ID50 (functional) | = 1 mg kg-1 | Intrinsic activity of the compound was determined in the rat hyperalgesia assay | ChEMBL. | No reference |
Ratio (binding) | = 4300 | Selectivity for COX-1/COX-2 was determined | ChEMBL. | No reference |
Ratio (binding) | = 4300 | Selectivity for COX-1/COX-2 was determined | ChEMBL. | No reference |
Recovery (ADMET) | > 95 % | Percentage recovery of the compound after 3h incubation with rat hapatocytes was determined | 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.