Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Bacillus anthracis | Anthrax lethal factor | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | No references |
Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | 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 |
---|---|---|---|---|---|
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 % |
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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Chlamydia trachomatis | arginine ABC transporter substrate-binding protein ArtJ | 0.0521 | 0.5045 | 0.5 |
Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 0.1305 | 0.1305 |
Echinococcus multilocularis | nmda type glutamate receptor | 0.0724 | 0.8272 | 0.8272 |
Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus granulosus | Glutamate receptor ionotropic kainate 2 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 0.1305 | 0.1305 |
Schistosoma mansoni | glutamate receptor NMDA | 0.0308 | 0.1654 | 0.1654 |
Chlamydia trachomatis | glutamine binding protein | 0.0521 | 0.5045 | 0.5 |
Echinococcus granulosus | Glutamate receptor ionotropic kainate 2 | 0.0308 | 0.1654 | 0.1654 |
Mycobacterium ulcerans | glutamine-binding lipoprotein GlnH | 0.0521 | 0.5045 | 0.5 |
Echinococcus multilocularis | glutamate receptor 2 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus multilocularis | glutamate receptor, ionotrophic, AMPA 3 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus granulosus | glutamate receptor 2 | 0.0308 | 0.1654 | 0.1654 |
Mycobacterium tuberculosis | Probable glutamine-binding lipoprotein GlnH (GLNBP) | 0.0521 | 0.5045 | 0.5 |
Treponema pallidum | amino acid ABC transporter, periplasmic binding protein | 0.0521 | 0.5045 | 0.5 |
Echinococcus granulosus | Glutamate receptor ionotropic kainate 2 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus granulosus | glutamate receptor ionotrophic AMPA 3 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus multilocularis | microtubule associated protein 2 | 0.0833 | 1 | 1 |
Treponema pallidum | amino acid ABC transporter, periplasmic binding protein (hisJ) | 0.0521 | 0.5045 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0286 | 0.1305 | 1 |
Echinococcus granulosus | nmda type glutamate receptor | 0.0724 | 0.8272 | 0.8272 |
Brugia malayi | hypothetical protein | 0.0286 | 0.1305 | 1 |
Schistosoma mansoni | microtubule-associated protein tau | 0.0833 | 1 | 1 |
Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 2 | 0.0308 | 0.1654 | 0.1654 |
Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 3 | 0.0724 | 0.8272 | 0.8272 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | = 0.1 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 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) | = 12.58925412 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-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 15.84893192 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 (ADMET) | = 1 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) | = 5.6234 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
Potency (functional) | = 7.9433 um | PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (ADMET) | = 12.5893 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) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 12.5893 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) | = 15.8489 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 (binding) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (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) | 35.4813 uM | PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] | ChEMBL. | No reference |
Potency (functional) | = 39.8107 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 Human Jumonji Domain Containing 2E (JMJD2E). (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) | 44.6684 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | 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.