Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
Homo sapiens | polymerase (DNA directed) iota | Starlite/ChEMBL | No references |
Homo sapiens | K(lysine) acetyltransferase 2A | Starlite/ChEMBL | No references |
Hepatitis C virus | NS3 | Starlite/ChEMBL | No references |
Homo sapiens | acid phosphatase 1, soluble | Starlite/ChEMBL | No references |
Homo sapiens | neuropeptide S receptor 1 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Mycobacterium tuberculosis | Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) | acid phosphatase 1, soluble | 112 aa | 107 aa | 24.3 % |
Brugia malayi | MH2 domain containing protein | SMAD family member 2 | 467 aa | 405 aa | 31.6 % |
Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma brucei | low molecular weight protein tyrosine phosphatase, putative | 0.007 | 0.1003 | 1 |
Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.0321 | 0.031 |
Echinococcus granulosus | dna polymerase eta | 0.0023 | 0.0151 | 0.014 |
Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0043 | 0.011 |
Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0226 | 0.3879 | 1 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0226 | 0.3879 | 1 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.2375 | 0.6123 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.007 | 0.1003 | 1 |
Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0023 | 0.0151 | 0.014 |
Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 0.0151 | 0.1351 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.0321 | 0.0828 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0738 | 0.0728 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0023 | 0.0151 | 0.014 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.007 | 0.1003 | 0.2287 |
Brugia malayi | MH2 domain containing protein | 0.0144 | 0.2375 | 0.608 |
Loa Loa (eye worm) | acetyltransferase | 0.0175 | 0.2943 | 0.7587 |
Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 0.0151 | 0.1351 |
Brugia malayi | acetyltransferase, GNAT family protein | 0.0175 | 0.2943 | 0.756 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.0738 | 0.1813 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0738 | 0.2105 |
Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.031 | 0.0799 |
Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.0321 | 0.031 |
Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 0.0151 | 0.1351 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0738 | 0.2105 |
Echinococcus multilocularis | neuropeptide s receptor | 0.0558 | 1 | 1 |
Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.0321 | 0.0828 |
Plasmodium vivax | histone acetyltransferase GCN5, putative | 0.0051 | 0.0669 | 0.5 |
Loa Loa (eye worm) | DEAH box polypeptide 35 | 0.0196 | 0.3331 | 0.8586 |
Trichomonas vaginalis | low molecular weight protein-tyrosine-phosphatase, putative | 0.0226 | 0.3879 | 1 |
Echinococcus multilocularis | gcn5proteinral control of amino acid synthesis | 0.0175 | 0.2943 | 0.2935 |
Trichomonas vaginalis | cat eye syndrome critical region protein 2, cscr2, putative | 0.0051 | 0.0669 | 0.139 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.0321 | 0.0725 |
Echinococcus multilocularis | musashi | 0.0033 | 0.0321 | 0.031 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0738 | 0.0728 |
Echinococcus granulosus | lamin dm0 | 0.0033 | 0.0321 | 0.031 |
Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.0321 | 0.061 |
Giardia lamblia | Low molecular weight protein-tyrosine-phosphatase | 0.0226 | 0.3879 | 1 |
Echinococcus granulosus | lamin | 0.0033 | 0.0321 | 0.031 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0226 | 0.3879 | 1 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0321 | 0.0828 |
Toxoplasma gondii | histone lysine acetyltransferase GCN5-A | 0.0051 | 0.0669 | 0.5 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.007 | 0.1003 | 1 |
Echinococcus granulosus | dna polymerase kappa | 0.0023 | 0.0151 | 0.014 |
Plasmodium falciparum | histone acetyltransferase GCN5 | 0.0047 | 0.059 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0011 | 0.0028 |
Mycobacterium tuberculosis | Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) | 0.0156 | 0.2598 | 1 |
Trichomonas vaginalis | low molecular weight protein-tyrosine-phosphatase, putative | 0.0226 | 0.3879 | 1 |
Giardia lamblia | Histone acetyltransferase GCN5 | 0.0047 | 0.059 | 0.1179 |
Loa Loa (eye worm) | hypothetical protein | 0.0196 | 0.3331 | 0.8586 |
Echinococcus multilocularis | dna polymerase kappa | 0.0023 | 0.0151 | 0.014 |
Brugia malayi | Probable ATP-dependent helicase DHX35 | 0.0196 | 0.3331 | 0.857 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Onchocerca volvulus | 0.0226 | 0.3879 | 1 | |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.2375 | 0.6123 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Echinococcus granulosus | histone acetyltransferase KAT2B | 0.0051 | 0.0669 | 0.0659 |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.0738 | 0.1903 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Brugia malayi | ImpB/MucB/SamB family protein | 0.0023 | 0.0151 | 0.0281 |
Schistosoma mansoni | gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 | 0.0175 | 0.2943 | 1 |
Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0151 | 0.1351 |
Trichomonas vaginalis | bromodomain-containing protein, putative | 0.0051 | 0.0669 | 0.139 |
Echinococcus multilocularis | neuropeptide receptor A26 | 0.0558 | 1 | 1 |
Echinococcus granulosus | histone acetyltransferase KAT2B | 0.017 | 0.2853 | 0.2845 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0738 | 0.0728 |
Brugia malayi | ImpB/MucB/SamB family protein | 0.0023 | 0.0151 | 0.0281 |
Leishmania major | hypothetical protein, conserved | 0.007 | 0.1003 | 1 |
Trypanosoma brucei | unspecified product | 0.0023 | 0.0151 | 0.1351 |
Schistosoma mansoni | lamin | 0.0033 | 0.0321 | 0.061 |
Echinococcus multilocularis | dna polymerase eta | 0.0023 | 0.0151 | 0.014 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0738 | 0.0728 |
Brugia malayi | intermediate filament protein | 0.0033 | 0.0321 | 0.0725 |
Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0023 | 0.0151 | 0.0388 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0738 | 0.2105 |
Toxoplasma gondii | histone lysine acetyltransferase GCN5-B | 0.0051 | 0.0669 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0151 | 0.0388 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.0226 | 0.3879 | 1 |
Trichomonas vaginalis | low molecular weight protein tyrosine phosphatase, putative | 0.007 | 0.1003 | 0.2287 |
Trichomonas vaginalis | low molecular weight protein-tyrosine-phosphatase, putative | 0.0226 | 0.3879 | 1 |
Entamoeba histolytica | acetyltransferase, GNAT family | 0.0047 | 0.059 | 0.1179 |
Brugia malayi | Low molecular weight phosphotyrosine protein phosphatase containing protein | 0.0226 | 0.3879 | 1 |
Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0226 | 0.3879 | 1 |
Trypanosoma brucei | DNA polymerase eta, putative | 0.0023 | 0.0151 | 0.1351 |
Schistosoma mansoni | lamin | 0.0033 | 0.0321 | 0.061 |
Mycobacterium ulcerans | phosphotyrosine protein phosphatase PtpA | 0.0226 | 0.3879 | 1 |
Echinococcus multilocularis | lamin | 0.0033 | 0.0321 | 0.031 |
Loa Loa (eye worm) | phosphotyrosine protein phosphatase | 0.0226 | 0.3879 | 1 |
Echinococcus granulosus | neuropeptide receptor A26 | 0.0558 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (binding) | = 27.82 uM | PUBCHEM_BIOASSAY: Inhibitors of Y. pestis Topo-I using cleavage product accumulation Measured in Biochemical System Using Plate Reader - 2123-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540310] | ChEMBL. | No reference |
IC50 (functional) | 5.55 uM | PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
IC50 (binding) | = 14.945 um | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3). (Class of assay: confirmatory) [Related pubchem assays: 1830 (Summary AID.), 1800 (Primary screen (NS3 inhibitors).), 1943 (Confirmation screen (NS3 inhibitors).)] | ChEMBL. | No reference |
IC50 (functional) | 80 uM | PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 2.9362 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) | 5.6234 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 9.285 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) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 14.1254 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) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Potency (functional) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
Potency (functional) | 20.5962 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) | 23.1093 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) | = 25.1189 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) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 37.6858 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (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) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
Potency (functional) | 53.2326 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | ChEMBL. | No reference |
Potency (functional) | 84.9214 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
Potency (binding) | = 100 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 100 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (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.