Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | 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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0069 | 0.0158 | 0.0284 |
Leishmania major | hypothetical protein, conserved | 0.0133 | 0.1226 | 1 |
Brugia malayi | RNA binding protein | 0.0392 | 0.5586 | 0.5515 |
Echinococcus granulosus | GPCR family 2 | 0.017 | 0.1862 | 0.3333 |
Echinococcus multilocularis | isocitrate dehydrogenase 2 (NADP+) | 0.0069 | 0.0158 | 0.0284 |
Schistosoma mansoni | hypothetical protein | 0.017 | 0.1862 | 0.3333 |
Loa Loa (eye worm) | hypothetical protein | 0.03 | 0.4028 | 0.3932 |
Plasmodium vivax | ataxin-2 like protein, putative | 0.0133 | 0.1226 | 1 |
Echinococcus granulosus | NADP dependent isocitrate dehydrogenase | 0.0069 | 0.0158 | 0.0284 |
Schistosoma mansoni | tar DNA-binding protein | 0.0392 | 0.5586 | 1 |
Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.017 | 0.1862 | 0.3333 |
Echinococcus multilocularis | serotonin receptor | 0.03 | 0.4028 | 0.7211 |
Echinococcus multilocularis | isocitrate dehydrogenase | 0.0069 | 0.0158 | 0.0284 |
Brugia malayi | Latrophilin receptor protein 2 | 0.017 | 0.1862 | 0.1731 |
Trypanosoma brucei | PAB1-binding protein , putative | 0.0133 | 0.1226 | 1 |
Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.017 | 0.1862 | 0.3333 |
Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0392 | 0.5586 | 0.5515 |
Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.017 | 0.1862 | 0.1731 |
Echinococcus granulosus | biogenic amine 5HT receptor | 0.03 | 0.4028 | 0.7211 |
Toxoplasma gondii | LsmAD domain-containing protein | 0.0133 | 0.1226 | 1 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0539 | 0.8039 | 0.8007 |
Schistosoma mansoni | hypothetical protein | 0.017 | 0.1862 | 0.3333 |
Brugia malayi | hypothetical protein | 0.0133 | 0.1226 | 0.1085 |
Loa Loa (eye worm) | hypothetical protein | 0.0133 | 0.1226 | 0.1085 |
Schistosoma mansoni | hypothetical protein | 0.017 | 0.1862 | 0.3333 |
Loa Loa (eye worm) | hypothetical protein | 0.016 | 0.1691 | 0.1557 |
Schistosoma mansoni | NADP-specific isocitrate dehydrogenase | 0.0069 | 0.0158 | 0.0284 |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.0133 | 0.1226 | 1 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0656 | 1 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0392 | 0.5586 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.03 | 0.4028 | 0.3932 |
Brugia malayi | RNA recognition motif domain containing protein | 0.0392 | 0.5586 | 0.5515 |
Schistosoma mansoni | tar DNA-binding protein | 0.0392 | 0.5586 | 1 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0539 | 0.8039 | 0.8007 |
Schistosoma mansoni | biogenic amine (5HT) receptor | 0.03 | 0.4028 | 0.7211 |
Brugia malayi | TAR-binding protein | 0.0392 | 0.5586 | 0.5515 |
Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.017 | 0.1862 | 0.3333 |
Brugia malayi | hypothetical protein | 0.016 | 0.1691 | 0.1557 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0069 | 0.0158 | 0.0284 |
Onchocerca volvulus | 0.016 | 0.1691 | 0.5 | |
Loa Loa (eye worm) | hypothetical protein | 0.0368 | 0.518 | 0.5102 |
Loa Loa (eye worm) | RNA binding protein | 0.0392 | 0.5586 | 0.5515 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0069 | 0.0158 | 0.0284 |
Echinococcus granulosus | tar DNA binding protein | 0.0392 | 0.5586 | 1 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0656 | 1 | 1 |
Echinococcus multilocularis | GPCR, family 2 | 0.017 | 0.1862 | 0.3333 |
Schistosoma mansoni | hypothetical protein | 0.017 | 0.1862 | 0.3333 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.0133 | 0.1226 | 1 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0368 | 0.518 | 0.5102 |
Echinococcus multilocularis | serotonin receptor | 0.03 | 0.4028 | 0.7211 |
Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.017 | 0.1862 | 0.1731 |
Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.017 | 0.1862 | 0.3333 |
Schistosoma mansoni | hypothetical protein | 0.0368 | 0.518 | 0.9273 |
Loa Loa (eye worm) | TAR-binding protein | 0.0392 | 0.5586 | 0.5515 |
Loa Loa (eye worm) | hypothetical protein | 0.0539 | 0.8039 | 0.8007 |
Echinococcus multilocularis | tar DNA binding protein | 0.0392 | 0.5586 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0392 | 0.5586 | 1 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0539 | 0.8039 | 0.8007 |
Brugia malayi | hypothetical protein | 0.0086 | 0.0438 | 0.0284 |
Loa Loa (eye worm) | hypothetical protein | 0.017 | 0.1862 | 0.1731 |
Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.0069 | 0.0158 | 0.5 |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.0133 | 0.1226 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0392 | 0.5586 | 1 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.0133 | 0.1226 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | 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) | 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) | = 0.501187234 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) | = 1.584893192 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 |
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 |
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 2D6. (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 |
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.