Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | No references |
Homo sapiens | lamin A/C | 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 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Plasmodium falciparum | carbonic anhydrase | 0.0124 | 0.1694 | 0.5 |
Trichomonas vaginalis | conserved hypothetical protein | 0.022 | 0.3471 | 1 |
Toxoplasma gondii | hypothetical protein | 0.0124 | 0.1694 | 1 |
Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.0229 | 0.3638 | 1 |
Brugia malayi | Putative carbonic anhydrase 5 precursor | 0.0229 | 0.3638 | 1 |
Echinococcus granulosus | carbonic anhydrase | 0.0124 | 0.1694 | 0.4655 |
Leishmania major | ribonuclease H1, putative | 0.0116 | 0.1536 | 0.1515 |
Brugia malayi | RNase H family protein | 0.0116 | 0.1536 | 0.4222 |
Leishmania major | carbonic anhydrase-like protein | 0.0229 | 0.3638 | 0.3964 |
Mycobacterium tuberculosis | Beta-carbonic anhydrase CanB | 0.0289 | 0.4744 | 1 |
Trypanosoma brucei | unspecified product | 0.0128 | 0.1776 | 0.0284 |
Schistosoma mansoni | carbonic anhydrase-related | 0.0124 | 0.1694 | 0.1694 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0036 | 0.0068 | 0.0187 |
Wolbachia endosymbiont of Brugia malayi | ribonuclease HI | 0.0116 | 0.1536 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0124 | 0.1694 | 0.4655 |
Schistosoma mansoni | hypothetical protein | 0.0036 | 0.0068 | 0.0068 |
Mycobacterium ulcerans | carbonic anhydrase | 0.0509 | 0.8818 | 1 |
Echinococcus granulosus | ribonuclease H1 | 0.0116 | 0.1536 | 0.4222 |
Schistosoma mansoni | carbonic anhydrase II (carbonate dehydratase II) | 0.0229 | 0.3638 | 0.3638 |
Schistosoma mansoni | phosphoglucomutase | 0.0116 | 0.1536 | 0.1536 |
Mycobacterium leprae | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) | 0.0509 | 0.8818 | 0.5 |
Trypanosoma brucei | carbonic anhydrase-like protein | 0.0229 | 0.3638 | 0.2483 |
Echinococcus granulosus | carbonic anhydrase | 0.0124 | 0.1694 | 0.4655 |
Schistosoma mansoni | carbonic anhydrase II (carbonate dehydratase II) | 0.0229 | 0.3638 | 0.3638 |
Echinococcus multilocularis | carbonic anhydrase II | 0.0229 | 0.3638 | 1 |
Brugia malayi | RNase H family protein | 0.0116 | 0.1536 | 0.4222 |
Echinococcus granulosus | carbonic anhydrase | 0.0124 | 0.1694 | 0.4655 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0053 | 0.0378 | 0.104 |
Entamoeba histolytica | carbonic anhydrase, putative | 0.0509 | 0.8818 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0124 | 0.1694 | 0.4655 |
Brugia malayi | Carbonic anhydrase like protein 2 precursor | 0.0124 | 0.1694 | 0.4655 |
Trypanosoma brucei | hypothetical protein, conserved | 0.0128 | 0.1776 | 0.0284 |
Echinococcus multilocularis | carbonic anhydrase | 0.0124 | 0.1694 | 0.4655 |
Leishmania major | carbonic anhydrase family protein, putative | 0.0509 | 0.8818 | 1 |
Schistosoma mansoni | carbonic anhydrase-related | 0.0124 | 0.1694 | 0.1694 |
Schistosoma mansoni | phosphoglucomutase | 0.0116 | 0.1536 | 0.1536 |
Loa Loa (eye worm) | hypothetical protein | 0.0036 | 0.0068 | 0.0187 |
Loa Loa (eye worm) | eukaryotic-type carbonic anhydrase | 0.0124 | 0.1694 | 0.4655 |
Loa Loa (eye worm) | hypothetical protein | 0.0124 | 0.1694 | 0.4655 |
Schistosoma mansoni | phosphoglucomutase | 0.0116 | 0.1536 | 0.1536 |
Schistosoma mansoni | carbonic anhydrase-related | 0.0124 | 0.1694 | 0.1694 |
Trypanosoma brucei | retrotransposon hot spot protein 4 (RHS4), interrupted | 0.0128 | 0.1776 | 0.0284 |
Loa Loa (eye worm) | carbonic anhydrase 3 | 0.0229 | 0.3638 | 1 |
Echinococcus granulosus | sodium channel protein | 0.0045 | 0.0236 | 0.0648 |
Echinococcus multilocularis | carbonic anhydrase | 0.0124 | 0.1694 | 0.4655 |
Giardia lamblia | Ribonuclease H | 0.0116 | 0.1536 | 0.5 |
Echinococcus multilocularis | carbonic anhydrase | 0.0124 | 0.1694 | 0.4655 |
Echinococcus granulosus | carbonic anhydrase II | 0.0229 | 0.3638 | 1 |
Schistosoma mansoni | carbonic anhydrase | 0.0509 | 0.8818 | 0.8818 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0053 | 0.0378 | 0.104 |
Brugia malayi | RNase H family protein | 0.0116 | 0.1536 | 0.4222 |
Schistosoma mansoni | hypothetical protein | 0.0124 | 0.1694 | 0.1694 |
Treponema pallidum | ribonuclease H (rnhA) | 0.0116 | 0.1536 | 0.5 |
Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0229 | 0.3638 | 1 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0053 | 0.0378 | 0.104 |
Echinococcus granulosus | voltage gated sodium channel Nav1 alpha subunit | 0.0045 | 0.0236 | 0.0648 |
Loa Loa (eye worm) | eukaryotic-type carbonic anhydrase | 0.0229 | 0.3638 | 1 |
Trypanosoma brucei | ingi protein (ORF1) | 0.0128 | 0.1776 | 0.0284 |
Schistosoma mansoni | carbonic anhydrase | 0.0124 | 0.1694 | 0.1694 |
Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.0229 | 0.3638 | 1 |
Brugia malayi | Carbonic anhydrase like protein 2 precursor | 0.0124 | 0.1694 | 0.4655 |
Loa Loa (eye worm) | hypothetical protein | 0.0053 | 0.0378 | 0.104 |
Echinococcus multilocularis | ribonuclease H1 | 0.0116 | 0.1536 | 0.4222 |
Echinococcus multilocularis | sodium channel protein | 0.0045 | 0.0236 | 0.0648 |
Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0124 | 0.1694 | 0.4655 |
Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0124 | 0.1694 | 0.4655 |
Trypanosoma brucei | ingi protein (ORF1) | 0.0128 | 0.1776 | 0.0284 |
Trichomonas vaginalis | conserved hypothetical protein | 0.022 | 0.3471 | 1 |
Schistosoma mansoni | amine GPCR | 0.0184 | 0.2798 | 0.2798 |
Onchocerca volvulus | Ribonuclease H1 homolog | 0.0116 | 0.1536 | 1 |
Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0124 | 0.1694 | 0.4655 |
Trypanosoma brucei | RNA helicase, putative | 0.0573 | 1 | 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-cyp3a4 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) | = 0.063095734 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) | = 12.58925412 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 |
Potency (ADMET) | = 0.0631 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) | 2.0315 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 |
Potency (functional) | 2.5575 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) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | 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.