Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
Homo sapiens | huntingtin | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | No references |
Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | MH2 domain containing protein | SMAD family member 2 | 467 aa | 405 aa | 31.6 % |
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 % |
Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
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 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Onchocerca volvulus | Huntingtin homolog | 0.0148 | 0.3511 | 1 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.1242 | 0.1242 |
Toxoplasma gondii | cytochrome p450 superfamily protein | 0.0021 | 0.0237 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0067 | 0.1427 | 0.1427 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0067 | 0.1427 | 0.5 |
Echinococcus multilocularis | para nitrobenzyl esterase | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | carboxylesterase | 0.0067 | 0.1427 | 0.1427 |
Schistosoma mansoni | acetylcholinesterase | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.3414 | 0.3414 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0067 | 0.1427 | 1 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0067 | 0.1427 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0032 | 0.0511 | 0.0511 |
Brugia malayi | Carboxylesterase family protein | 0.0067 | 0.1427 | 0.1427 |
Schistosoma mansoni | gliotactin | 0.0067 | 0.1427 | 0.1427 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0032 | 0.0511 | 0.23 |
Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0019 | 0.0177 | 0.0177 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0032 | 0.0511 | 0.0511 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | cytochrome P450 | 0.0021 | 0.0237 | 0.0237 |
Schistosoma mansoni | neuroligin 3 (S09 family) | 0.0067 | 0.1427 | 0.1427 |
Echinococcus granulosus | BC026374 protein S09 family | 0.0067 | 0.1427 | 0.1427 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0032 | 0.0511 | 1 |
Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0019 | 0.0177 | 0.0177 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0067 | 0.1427 | 0.1427 |
Onchocerca volvulus | 0.0067 | 0.1427 | 0.4065 | |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0067 | 0.1429 | 0.1429 |
Brugia malayi | hypothetical protein | 0.0148 | 0.3511 | 0.3511 |
Onchocerca volvulus | 0.0067 | 0.1427 | 0.4065 | |
Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Brugia malayi | Carboxylesterase family protein | 0.0067 | 0.1427 | 0.1427 |
Echinococcus granulosus | carboxylesterase 5A | 0.0399 | 1 | 1 |
Echinococcus multilocularis | GPCR, family 2 | 0.0019 | 0.0177 | 0.0177 |
Brugia malayi | Cytochrome P450 family protein | 0.0067 | 0.1429 | 0.1429 |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | carboxylesterase | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.1242 | 0.1242 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0399 | 1 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0021 | 0.0237 | 0.0237 |
Brugia malayi | Carboxylesterase family protein | 0.0067 | 0.1427 | 0.1427 |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.0067 | 0.1427 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0399 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0177 | 0.0177 |
Echinococcus multilocularis | 0.0021 | 0.0237 | 0.0237 | |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.0067 | 0.1427 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0399 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0021 | 0.0237 | 0.0237 |
Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Schistosoma mansoni | BC026374 protein (S09 family) | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0177 | 0.0177 |
Onchocerca volvulus | 0.0067 | 0.1427 | 0.4065 | |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.0749 | 0.0749 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0032 | 0.0511 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0148 | 0.3511 | 0.3511 |
Echinococcus granulosus | acetylcholinesterase | 0.0399 | 1 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0032 | 0.0511 | 0.0511 |
Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Onchocerca volvulus | Huntingtin homolog | 0.0148 | 0.3511 | 1 |
Leishmania major | cytochrome p450-like protein | 0.0032 | 0.0511 | 1 |
Mycobacterium leprae | putative cytochrome p450 | 0.0021 | 0.0237 | 0.5 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0399 | 1 | 1 |
Onchocerca volvulus | 0.0067 | 0.1427 | 0.4065 | |
Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0067 | 0.1427 | 0.1427 |
Echinococcus multilocularis | neuroligin | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.1242 | 0.1242 |
Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.3414 | 0.3414 |
Schistosoma mansoni | hypothetical protein | 0.0041 | 0.0749 | 0.0749 |
Loa Loa (eye worm) | hypothetical protein | 0.0148 | 0.3511 | 0.3511 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.1242 | 0.1242 |
Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0019 | 0.0177 | 0.0177 |
Echinococcus granulosus | cytochrome P450 2K1 | 0.0021 | 0.0237 | 0.0237 |
Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0019 | 0.0177 | 0.0177 |
Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0177 | 0.0177 |
Brugia malayi | cytochrome P450 | 0.0021 | 0.0237 | 0.0237 |
Brugia malayi | Latrophilin receptor protein 2 | 0.0019 | 0.0177 | 0.0177 |
Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0749 | 0.0749 |
Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.0067 | 0.1427 | 0.1427 |
Echinococcus multilocularis | acetylcholinesterase | 0.0399 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0399 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0399 | 1 | 1 |
Echinococcus multilocularis | acetylcholinesterase | 0.0399 | 1 | 1 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0399 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0067 | 0.1427 | 0.1427 |
Loa Loa (eye worm) | hypothetical protein | 0.0019 | 0.0177 | 0.0177 |
Brugia malayi | Cytochrome P450 family protein | 0.0032 | 0.0511 | 0.0511 |
Brugia malayi | MH2 domain containing protein | 0.0144 | 0.3414 | 0.3414 |
Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0067 | 0.1427 | 0.1427 |
Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0019 | 0.0177 | 0.0177 |
Trypanosoma brucei | cytochrome P450, putative | 0.0032 | 0.0511 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0032 | 0.0511 | 0.0511 |
Schistosoma mansoni | cytochrome P450 | 0.0021 | 0.0237 | 0.0237 |
Schistosoma mansoni | hypothetical protein | 0.0019 | 0.0177 | 0.0177 |
Echinococcus granulosus | acetylcholinesterase | 0.0399 | 1 | 1 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0067 | 0.1427 | 1 |
Brugia malayi | hypothetical protein | 0.0067 | 0.1427 | 0.1427 |
Echinococcus granulosus | neuroligin | 0.0067 | 0.1427 | 0.1427 |
Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0019 | 0.0177 | 0.0177 |
Echinococcus granulosus | GPCR family 2 | 0.0019 | 0.0177 | 0.0177 |
Onchocerca volvulus | 0.0067 | 0.1427 | 0.4065 | |
Mycobacterium leprae | Conserved hypothetical protein | 0.0021 | 0.0237 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | = 0.316227766 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) | = 4.466835922 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) | = 11.22018454 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-cyp2c9 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-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
Potency (functional) | 1.9953 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
Potency (functional) | 9.285 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) | 10 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
Potency (functional) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] | ChEMBL. | No reference |
Potency (functional) | = 15.8489 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 16.3601 uM | PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 23.1093 uM | PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 25.9185 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
Potency (functional) | 29.0929 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 63.0957 uM | PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | ||
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.