Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Homo sapiens | hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | No references |
Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
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 | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0317 | 0.5351 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0045 | 0.0237 | 0.0443 |
Trichomonas vaginalis | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0317 | 0.5351 | 1 |
Toxoplasma gondii | 3-oxo-5-alpha-steroid 4-dehydrogenase | 0.0317 | 0.5351 | 1 |
Entamoeba histolytica | steroid 5-alpha reductase, putative | 0.0317 | 0.5351 | 1 |
Brugia malayi | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 0.0317 | 0.5351 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0317 | 0.5351 | 0.5351 |
Giardia lamblia | Synaptic glycoprotein SC2 | 0.0045 | 0.0237 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0317 | 0.5351 | 1 |
Echinococcus multilocularis | synaptic glycoprotein sc2 | 0.0045 | 0.0237 | 1 |
Onchocerca volvulus | Bile acid receptor homolog | 0.0179 | 0.2767 | 1 |
Plasmodium falciparum | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0045 | 0.0237 | 0.5 |
Leishmania major | 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein | 0.0317 | 0.5351 | 1 |
Trichomonas vaginalis | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0317 | 0.5351 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0067 | 0.0666 | 0.1245 |
Plasmodium falciparum | polyprenol reductase, putative | 0.0045 | 0.0237 | 0.5 |
Trypanosoma cruzi | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0317 | 0.5351 | 1 |
Echinococcus granulosus | 3 oxo 5 alpha steroid 4 dehydrogenase C terminal | 0.0045 | 0.0237 | 1 |
Onchocerca volvulus | 0.0045 | 0.0237 | 0.0082 | |
Echinococcus granulosus | synaptic glycoprotein sc2 | 0.0045 | 0.0237 | 1 |
Schistosoma mansoni | single-minded | 0.0059 | 0.0503 | 0.2729 |
Brugia malayi | hypoxia-induced factor 1 | 0.0182 | 0.2813 | 0.5257 |
Trypanosoma cruzi | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0317 | 0.5351 | 1 |
Brugia malayi | Trypsin family protein | 0.0096 | 0.1211 | 0.2263 |
Brugia malayi | hypothetical protein | 0.0197 | 0.31 | 0.5793 |
Loa Loa (eye worm) | hypothetical protein | 0.0197 | 0.31 | 0.5793 |
Mycobacterium ulcerans | short chain dehydrogenase | 0.0565 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0096 | 0.1211 | 0.2263 |
Plasmodium vivax | polyprenol reductase, putative | 0.0045 | 0.0237 | 0.5 |
Trypanosoma brucei | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0045 | 0.0237 | 0.0443 |
Onchocerca volvulus | 0.0088 | 0.105 | 0.3268 | |
Brugia malayi | Synaptic glycoprotein SC2 | 0.0045 | 0.0237 | 0.0443 |
Trypanosoma cruzi | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0045 | 0.0237 | 0.0443 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0067 | 0.0666 | 0.1245 |
Loa Loa (eye worm) | hypothetical protein | 0.0179 | 0.2767 | 0.5171 |
Brugia malayi | ecdysteroid receptor | 0.0179 | 0.2767 | 0.5171 |
Echinococcus multilocularis | 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal | 0.0045 | 0.0237 | 1 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0096 | 0.1211 | 1 |
Mycobacterium ulcerans | putative regulatory protein | 0.0043 | 0.0216 | 0.0216 |
Loa Loa (eye worm) | hypoxia-induced factor 1 | 0.0182 | 0.2813 | 0.5257 |
Loa Loa (eye worm) | hypothetical protein | 0.0096 | 0.1211 | 0.2263 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0096 | 0.1211 | 1 |
Brugia malayi | bHLH-PAS transcription factor | 0.0043 | 0.0216 | 0.0404 |
Plasmodium vivax | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0045 | 0.0237 | 0.5 |
Brugia malayi | PAS domain containing protein | 0.0059 | 0.0503 | 0.094 |
Schistosoma mansoni | aryl hydrocarbon receptor | 0.0059 | 0.0503 | 0.2729 |
Onchocerca volvulus | 0.0096 | 0.1211 | 0.3899 | |
Loa Loa (eye worm) | hypothetical protein | 0.0045 | 0.0237 | 0.0443 |
Trypanosoma brucei | 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative | 0.0317 | 0.5351 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | = 0.012589254 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 0.063095734 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 0.794328235 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 1.584893192 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 6.309573445 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
Potency (ADMET) | = 0.0126 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 0.7943 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | ChEMBL. | No reference |
Potency (functional) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] | ChEMBL. | No reference |
Potency (functional) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] | ChEMBL. | No reference |
Potency (ADMET) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 1.5849 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 (ADMET) | = 6.3096 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] | ChEMBL. | No reference |
Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) | 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.