Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | peroxisome proliferator-activated receptor gamma | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Homo sapiens | peroxisome proliferator-activated receptor alpha | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Echinococcus granulosus | ecdysone induced protein 78C | peroxisome proliferator-activated receptor gamma | 477 aa | 447 aa | 28.2 % |
Brugia malayi | ecdysteroid receptor | peroxisome proliferator-activated receptor alpha | 468 aa | 397 aa | 25.4 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0351 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0074 | 0.1138 | 0.5 |
Leishmania major | putative pyruvate/indole-pyruvate carboxylase, putative | 0.013 | 0.2531 | 1 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.0423 | 1 |
Mycobacterium tuberculosis | Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) | 0.0097 | 0.1723 | 0.3304 |
Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Nuclear hormone receptor-like 1 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Onchocerca volvulus | 0.0037 | 0.0239 | 0.5 | |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0037 | 0.0239 | 0.088 |
Mycobacterium tuberculosis | Probable oxalyl-CoA decarboxylase OxcA | 0.0228 | 0.4926 | 1 |
Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0037 | 0.0239 | 0.0486 |
Schistosoma mansoni | acetolactate synthase | 0.0195 | 0.4111 | 0.3967 |
Mycobacterium ulcerans | pyruvate or indole-3-pyruvate decarboxylase Pdc | 0.013 | 0.2531 | 0.4994 |
Schistosoma mansoni | acetolactate synthase | 0.0195 | 0.4111 | 0.3967 |
Loa Loa (eye worm) | ILVBL protein | 0.0138 | 0.2718 | 1 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.0423 | 1 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0351 | 1 |
Mycobacterium tuberculosis | Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) | 0.0228 | 0.4926 | 1 |
Onchocerca volvulus | Protein ultraspiracle homolog | 0.0037 | 0.0239 | 0.5 |
Brugia malayi | nuclear hormone receptor | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0037 | 0.0239 | 0.088 |
Loa Loa (eye worm) | thiamine pyrophosphate enzyme | 0.0131 | 0.2537 | 0.9335 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0279 | 0.1026 |
Loa Loa (eye worm) | steroid hormone receptor | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium leprae | Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) | 0.0228 | 0.4926 | 1 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0074 | 0.1138 | 0.5 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0037 | 0.0239 | 0.088 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.0423 | 0.086 |
Treponema pallidum | pyruvate oxidoreductase | 0.0033 | 0.0143 | 0.5 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium ulcerans | acetolactate synthase large subunit IlvB | 0.013 | 0.2531 | 0.4994 |
Brugia malayi | steroid hormone receptor | 0.0037 | 0.0239 | 0.0486 |
Giardia lamblia | Pyruvate-flavodoxin oxidoreductase | 0.0033 | 0.0143 | 0.5 |
Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0037 | 0.0239 | 0.0486 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0524 | 0.0292 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0524 | 0.0292 |
Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0037 | 0.0239 | 0.5 |
Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0037 | 0.0239 | 0.088 |
Mycobacterium leprae | PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) | 0.0228 | 0.4926 | 1 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0037 | 0.0239 | 0.088 |
Plasmodium vivax | acyl-CoA synthetase, putative | 0.013 | 0.2531 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Entamoeba histolytica | pyruvate:ferredoxin oxidoreductase | 0.0033 | 0.0143 | 0.5 |
Mycobacterium ulcerans | acetolactate synthase | 0.013 | 0.2531 | 0.4994 |
Mycobacterium ulcerans | hypothetical protein | 0.0074 | 0.1138 | 0.208 |
Onchocerca volvulus | Bile acid receptor homolog | 0.0037 | 0.0239 | 0.5 |
Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0037 | 0.0239 | 0.088 |
Trypanosoma brucei | phosphonopyruvate decarboxylase-like protein, putative | 0.0074 | 0.1138 | 0.5 |
Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium ulcerans | hypothetical protein | 0.0228 | 0.4926 | 1 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.0423 | 0.1558 |
Brugia malayi | Steroid receptor seven-up type 2 | 0.0037 | 0.0239 | 0.0486 |
Brugia malayi | Thiamine pyrophosphate enzyme, central domain containing protein | 0.0228 | 0.4926 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium ulcerans | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | 0.004 | 0.0323 | 0.0378 |
Mycobacterium ulcerans | acetolactate synthase 1 catalytic subunit | 0.0228 | 0.4926 | 1 |
Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0037 | 0.0239 | 0.0486 |
Trypanosoma cruzi | phosphonopyruvate decarboxylase, putative | 0.0074 | 0.1138 | 0.5 |
Brugia malayi | nuclear receptor NHR-88 | 0.0037 | 0.0239 | 0.0486 |
Mycobacterium ulcerans | putative oxalyl-CoA decarboxylase | 0.0228 | 0.4926 | 1 |
Brugia malayi | ecdysteroid receptor | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Plasmodium falciparum | acyl-CoA synthetase | 0.013 | 0.2531 | 0.5 |
Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0037 | 0.0239 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0239 | 0.088 |
Brugia malayi | photoreceptor-specific nuclear receptor | 0.0037 | 0.0239 | 0.0486 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
EC50 (functional) | = 0.004 uM | Agonist activity at PPARgamma (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
EC50 (functional) | = 0.004 uM | Agonist activity at PPARgamma (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
EC50 (functional) | = 0.01 uM | Agonist activity at PPARalpha (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
EC50 (functional) | = 0.01 uM | Agonist activity at PPARalpha (unknown origin) in HEK293 cells by GAL4 transactivation assay | ChEMBL. | 18291645 |
IC50 (ADMET) | Inhibition of CYP2C19 (unknown origin) | ChEMBL. | 18291645 | |
IC50 (ADMET) | 0 | Inhibition of CYP2C19 (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.11 uM | Inhibition of PPARgamma (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.11 uM | Inhibition of PPARgamma (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.79 uM | Inhibition of PPARalpha (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 0.79 uM | Inhibition of PPARalpha (unknown origin) | ChEMBL. | 18291645 |
IC50 (ADMET) | = 2.3 uM | Inhibition of CYP2C9 (unknown origin) | ChEMBL. | 18291645 |
IC50 (ADMET) | = 2.3 uM | Inhibition of CYP2C9 (unknown origin) | ChEMBL. | 18291645 |
IC50 (binding) | = 18.1 uM | Inhibition of human ERG by FLIPR assay | ChEMBL. | 18291645 |
IC50 (binding) | = 18.1 uM | Inhibition of human ERG by FLIPR assay | ChEMBL. | 18291645 |
IC50 (ADMET) | = 28 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxyresorufin substrate | ChEMBL. | 18291645 |
IC50 (ADMET) | = 28 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxyresorufin substrate | ChEMBL. | 18291645 |
IC50 (ADMET) | > 40 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxy-4-trifluoromethyl coumarin substrate | ChEMBL. | 18291645 |
IC50 (ADMET) | > 40 uM | Inhibition of CYP3A4 (unknown origin) in presence of 7-benzyloxy-4-trifluoromethyl coumarin substrate | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARalpha (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to GW2331 | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARgamma (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to rosiglitazone | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARalpha (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to GW2331 | ChEMBL. | 18291645 |
Intrinsic activity (functional) | > 90 % | Agonist activity at PPARgamma (unknown origin) in HEK293 cells at 1 uM by GAL4 transactivation assay relative to rosiglitazone | ChEMBL. | 18291645 |
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.