Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Homo sapiens | polo-like kinase 1 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | hypothetical protein | 0.0134 | 0.1423 | 0.2582 |
Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.1142 | 0.256 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1142 | 1 |
Echinococcus granulosus | Bcl 2 ous antagonist:killer | 0.0134 | 0.1423 | 0.0317 |
Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0354 | 0.4462 | 1 |
Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.1142 | 0.5 |
Mycobacterium ulcerans | isocitrate lyase AceAb | 0.0558 | 0.7288 | 0.5 |
Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0354 | 0.4462 | 1 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.1142 | 0.1897 |
Schistosoma mansoni | protein tyrosine phosphatase non-receptor type nt1 | 0.0354 | 0.4462 | 1 |
Mycobacterium leprae | PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) | 0.0558 | 0.7288 | 1 |
Schistosoma mansoni | bcl-2 homologous antagonist/killer (bak) | 0.0134 | 0.1423 | 0.2582 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1142 | 1 |
Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0354 | 0.4462 | 0.3748 |
Mycobacterium tuberculosis | Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) | 0.0558 | 0.7288 | 0.5 |
Echinococcus multilocularis | tyrosine protein phosphatase non receptor type | 0.0354 | 0.4462 | 0.3748 |
Mycobacterium tuberculosis | Isocitrate lyase Icl (isocitrase) (isocitratase) | 0.0558 | 0.7288 | 0.5 |
Mycobacterium ulcerans | isocitrate lyase Icl | 0.0558 | 0.7288 | 0.5 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1142 | 1 |
Mycobacterium tuberculosis | Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) | 0.0558 | 0.7288 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0134 | 0.1423 | 0.3189 |
Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.1142 | 0.5 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1142 | 1 |
Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.1142 | 0.5 |
Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.1142 | 0.5 |
Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.1142 | 0.256 |
Echinococcus multilocularis | Bcl 2 ous antagonist:killer | 0.0134 | 0.1423 | 0.0317 |
Giardia lamblia | Kinase, PLK | 0.0114 | 0.1142 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0134 | 0.1423 | 0.2582 |
Schistosoma mansoni | apoptosis regulator bax | 0.0134 | 0.1423 | 0.2582 |
Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.1142 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0134 | 0.1423 | 0.2582 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1142 | 1 |
Echinococcus multilocularis | EGFP:Bcl2 fusion protein | 0.0754 | 1 | 1 |
Loa Loa (eye worm) | apoptosis regulator protein | 0.0134 | 0.1423 | 0.3189 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1142 | 1 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.1142 | 1 |
Brugia malayi | Apoptosis regulator proteins, Bcl-2 family protein | 0.0134 | 0.1423 | 0.3189 |
Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.1142 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CL (ADMET) | = 32 ml/min.kg | Clearance in iv dosed mouse | ChEMBL. | 20594842 |
IC50 (binding) | = 3 nM | Inhibition of PLK1 by SPA assay | ChEMBL. | 20594842 |
IC50 (functional) | = 30 nM | Cytotoxicity against human HCT116 cells after 72 hrs by celltiter-glo assay | ChEMBL. | 20594842 |
IC50 (ADMET) | = 0.2 uM | Inhibition of human recombinant CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate by fluorescence plate reader | ChEMBL. | 20594842 |
IC50 (ADMET) | = 0.4 uM | Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate by fluorescence plate reader | ChEMBL. | 20594842 |
IC50 (ADMET) | = 1.9 uM | Inhibition of human recombinant CYP3A4 using 7-benzyloxyquinoline as substrate by fluorescence plate reader | ChEMBL. | 20594842 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | 20594842 |
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.