Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | 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 C, polypeptide 9 | 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 |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
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 % |
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Onchocerca volvulus | 0.078 | 1 | 1 | |
Echinococcus granulosus | hexokinase type 2 | 0.078 | 1 | 0.5 |
Leishmania major | hexokinase, putative | 0.078 | 1 | 0.5 |
Leishmania major | hexokinase, putative | 0.078 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0248 | 0.2533 | 0.2533 |
Echinococcus granulosus | hexokinase | 0.078 | 1 | 0.5 |
Loa Loa (eye worm) | hexokinase type II | 0.078 | 1 | 1 |
Onchocerca volvulus | 0.078 | 1 | 1 | |
Loa Loa (eye worm) | hexokinase | 0.0241 | 0.244 | 0.244 |
Entamoeba histolytica | hexokinase 2 | 0.078 | 1 | 0.5 |
Plasmodium vivax | hexokinase, putative | 0.078 | 1 | 0.5 |
Brugia malayi | Hexokinase family protein | 0.078 | 1 | 1 |
Treponema pallidum | hexokinase (hxk) | 0.078 | 1 | 0.5 |
Trypanosoma cruzi | hexokinase, putative | 0.078 | 1 | 0.5 |
Echinococcus granulosus | hexokinase | 0.078 | 1 | 0.5 |
Echinococcus multilocularis | hexokinase | 0.078 | 1 | 0.5 |
Echinococcus multilocularis | hexokinase | 0.078 | 1 | 0.5 |
Trypanosoma brucei | hexokinase | 0.078 | 1 | 0.5 |
Entamoeba histolytica | hexokinase 1 | 0.078 | 1 | 0.5 |
Brugia malayi | Hexokinase family protein | 0.0489 | 0.5921 | 0.5921 |
Echinococcus granulosus | hexokinase | 0.078 | 1 | 0.5 |
Loa Loa (eye worm) | hexokinase | 0.078 | 1 | 1 |
Brugia malayi | hexokinase type II | 0.0248 | 0.2533 | 0.2533 |
Echinococcus multilocularis | hexokinase | 0.078 | 1 | 0.5 |
Toxoplasma gondii | hexokinase | 0.078 | 1 | 0.5 |
Loa Loa (eye worm) | hexokinase | 0.078 | 1 | 1 |
Schistosoma mansoni | hexokinase | 0.078 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0248 | 0.2533 | 0.2533 |
Brugia malayi | Hexokinase family protein | 0.0241 | 0.244 | 0.244 |
Plasmodium falciparum | hexokinase | 0.078 | 1 | 0.5 |
Trypanosoma brucei | hexokinase, putative | 0.078 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0532 | 0.6519 | 0.6519 |
Trypanosoma cruzi | hexokinase, putative | 0.078 | 1 | 0.5 |
Onchocerca volvulus | 0.078 | 1 | 1 | |
Trypanosoma brucei | hexokinase | 0.078 | 1 | 0.5 |
Loa Loa (eye worm) | hexokinase | 0.0489 | 0.5921 | 0.5921 |
Echinococcus multilocularis | hexokinase type 2 | 0.078 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | = 0.199526231 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) | = 1.412537545 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) | = 3.981071706 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) | = 5.011872336 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) | = 12.58925412 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 |
Potency (functional) | 2.3323 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | 11.6891 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 |
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.