Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | matrix metallopeptidase 1 (interstitial collagenase) | Starlite/ChEMBL | References |
Homo sapiens | matrix metallopeptidase 13 (collagenase 3) | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Matrixin family protein | matrix metallopeptidase 1 (interstitial collagenase) | 403 aa | 401 aa | 27.7 % |
Echinococcus granulosus | matrix metallopeptidase 7 M10 family | matrix metallopeptidase 13 (collagenase 3) | 471 aa | 448 aa | 34.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | matrixin family protein | 0.0127 | 0.0059 | 0.0059 |
Mycobacterium ulcerans | fructose-2,6-bisphosphatase GpmB | 0.1116 | 0.5632 | 0.5 |
Schistosoma mansoni | 6-phosphofructokinase | 0.1891 | 1 | 0.5 |
Entamoeba histolytica | phosphoglycerate mutase family protein, putative | 0.1116 | 0.5632 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.1084 | 0.5452 | 0.5452 |
Brugia malayi | Matrixin family protein | 0.0127 | 0.0059 | 0.5 |
Echinococcus multilocularis | 6 phosphofructo 2 kinase:fructose 2 | 0.1891 | 1 | 1 |
Onchocerca volvulus | 0.1891 | 1 | 1 | |
Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1891 | 1 | 1 |
Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1891 | 1 | 1 |
Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1891 | 1 | 1 |
Giardia lamblia | Hypothetical protein | 0.1116 | 0.5632 | 0.5 |
Trypanosoma brucei | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1891 | 1 | 1 |
Trypanosoma cruzi | 6-phosphofructo-2-kinase 1 | 0.186 | 0.982 | 0.9706 |
Loa Loa (eye worm) | hypothetical protein | 0.186 | 0.982 | 0.982 |
Giardia lamblia | Hypothetical protein | 0.1116 | 0.5632 | 0.5 |
Trypanosoma cruzi | 6-phosphofructo-2-kinase 1 | 0.186 | 0.982 | 0.9706 |
Mycobacterium ulcerans | hypothetical protein | 0.1116 | 0.5632 | 0.5 |
Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.186 | 0.982 | 0.9706 |
Trypanosoma brucei | 6-phosphofructo-2-kinase 2 | 0.186 | 0.982 | 0.9706 |
Loa Loa (eye worm) | hypothetical protein | 0.1891 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Clp (ADMET) | = 8.9 ml min-1 kg-1 | Plasma clearance (Clp) of the compound was determined in rat | ChEMBL. | 15177439 |
F (ADMET) | = 39 % | Oral bioavailability in rat | ChEMBL. | 15177439 |
IC50 (binding) | = 0.65 nM | Inhibitory activity against matrix metalloproteinase-13 (MMP-13) | ChEMBL. | 15177439 |
IC50 (binding) | = 0.65 nM | Inhibitory activity against matrix metalloproteinase-13 (MMP-13) | ChEMBL. | 15177439 |
IC50 (binding) | = 180 nM | Inhibitory activity against human matrix metalloproteinase-1 (MMP-1) | ChEMBL. | 15177439 |
IC50 (binding) | = 180 nM | Inhibitory activity against human matrix metalloproteinase-1 (MMP-1) | ChEMBL. | 15177439 |
Inhibition (functional) | = 71 % | Inhibition of MMP-13 induced experimental arthritis in hamster knee by 30 mg/kg p.o. | ChEMBL. | 15177439 |
Inhibition (functional) | = 71 % | Inhibition of MMP-13 induced experimental arthritis in hamster knee by 30 mg/kg p.o. | ChEMBL. | 15177439 |
Ratio (binding) | = 280 | Ratio of IC50 of MMP-1 to that of MMP-13 was determined | ChEMBL. | 15177439 |
T1/2 (ADMET) | = 7.4 hr | Half life of the compound was determined in rat | ChEMBL. | 15177439 |
Vss (ADMET) | = 2.8 l kg-1 | Steady state volume distribution of the compound was determined in rat | ChEMBL. | 15177439 |
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.
1 literature reference was collected for this gene.