Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | peptidylprolyl cis/trans isomerase, NIMA-interacting 1 | Starlite/ChEMBL | No references |
Homo sapiens | glutaminase | Starlite/ChEMBL | No references |
Streptococcus pyogenes serotype M1 | Streptokinase A | Starlite/ChEMBL | No references |
Homo sapiens | sphingomyelin phosphodiesterase 1, acid lysosomal | Starlite/ChEMBL | No references |
Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Leishmania major | peptidyl-prolyl cis-trans isomerase, putative | peptidylprolyl cis/trans isomerase, NIMA-interacting 1 | 163 aa | 133 aa | 27.8 % |
Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Giardia lamblia | Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative | 0.0063 | 0.0711 | 0.5 |
Echinococcus multilocularis | propionyl coenzyme A carboxylase alpha chain | 0.014 | 0.3067 | 0.3047 |
Mycobacterium ulcerans | pyruvate carboxylase | 0.014 | 0.3067 | 0.3221 |
Loa Loa (eye worm) | glutaminase | 0.033 | 0.8852 | 0.9211 |
Trypanosoma cruzi | 3-methylcrotonyl-CoA carboxylase, putative | 0.014 | 0.3067 | 0.5348 |
Entamoeba histolytica | transcription factor BTF3, putative | 0.0042 | 0.0086 | 0.047 |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.0483 | 0.0474 |
Chlamydia trachomatis | biotin carboxylase | 0.0127 | 0.2674 | 1 |
Echinococcus granulosus | propionyl coenzyme A carboxylase beta chain | 0.005 | 0.0318 | 0.029 |
Schistosoma mansoni | methylcrotonyl-CoA carboxylase | 0.014 | 0.3067 | 0.3047 |
Trypanosoma brucei | 3-methylcrotonyl-CoA carboxylase alpha subunit, putative | 0.014 | 0.3067 | 0.3067 |
Schistosoma mansoni | glutaminase | 0.033 | 0.8852 | 0.8848 |
Trypanosoma cruzi | 3-methylcrotonoyl-CoA carboxylase beta subunit, putative | 0.005 | 0.0318 | 0.0555 |
Entamoeba histolytica | acetyl-coA carboxylase, putative | 0.0063 | 0.0711 | 0.3868 |
Leishmania major | basic transcription factor 3a, putative | 0.0042 | 0.0086 | 0.0086 |
Mycobacterium ulcerans | acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 | 0.014 | 0.3067 | 0.3221 |
Trypanosoma brucei | transcription factor BTF3, putative | 0.0042 | 0.0086 | 0.0086 |
Trichomonas vaginalis | rotamase, putative | 0.004 | 0.0029 | 0.0033 |
Schistosoma mansoni | methylcrotonyl-CoA carboxylase | 0.014 | 0.3067 | 0.3047 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0483 | 0.0455 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0483 | 0.0455 |
Trypanosoma cruzi | 3-methylcrotonyl-CoA carboxylase, putative | 0.014 | 0.3067 | 0.5348 |
Plasmodium vivax | biotin carboxylase subunit of acetyl CoA carboxylase, putative | 0.0266 | 0.6905 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.0086 | 0.0098 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.0483 | 0.0474 |
Trichomonas vaginalis | conserved hypothetical protein | 0.004 | 0.0029 | 0.0033 |
Entamoeba histolytica | Acid sphingomyelinase-like phosphodiesterase, putative | 0.01 | 0.1837 | 1 |
Entamoeba histolytica | Acid sphingomyelinase-like phosphodiesterase, putative | 0.01 | 0.1837 | 1 |
Leishmania major | propionyl-coa carboxylase beta chain, putative | 0.005 | 0.0318 | 0.0318 |
Toxoplasma gondii | pyruvate carboxylase | 0.014 | 0.3067 | 0.3067 |
Schistosoma mansoni | hypothetical protein | 0.0343 | 0.9231 | 0.9229 |
Schistosoma mansoni | pyruvate carboxylase | 0.014 | 0.3067 | 0.3047 |
Toxoplasma gondii | acetyl-CoA carboxylase ACC1 | 0.0368 | 1 | 1 |
Echinococcus granulosus | snurportin 1 | 0.0343 | 0.9231 | 0.9229 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.0086 | 0.0098 |
Loa Loa (eye worm) | glutaminase 2 | 0.033 | 0.8852 | 0.9211 |
Mycobacterium ulcerans | acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 | 0.014 | 0.3067 | 0.3221 |
Trypanosoma cruzi | acetyl-CoA carboxylase, putative | 0.005 | 0.0318 | 0.0555 |
Brugia malayi | beta-NAC-like protein | 0.0042 | 0.0086 | 0.006 |
Brugia malayi | glutaminase DH11.1 | 0.033 | 0.8852 | 0.9211 |
Leishmania major | acetyl-CoA carboxylase, putative | 0.0368 | 1 | 1 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0483 | 0.0455 |
Loa Loa (eye worm) | hypothetical protein | 0.01 | 0.1837 | 0.1888 |
Trypanosoma brucei | 3-methylcrotonoyl-CoA carboxylase beta subunit, putative | 0.005 | 0.0318 | 0.0318 |
Leishmania major | methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein | 0.014 | 0.3067 | 0.3067 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0483 | 0.0455 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0483 | 0.0455 |
Mycobacterium tuberculosis | Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie | 0.014 | 0.3067 | 1 |
Echinococcus multilocularis | propionyl coenzyme A carboxylase beta chain | 0.005 | 0.0318 | 0.029 |
Schistosoma mansoni | transcription factor btf3 | 0.0042 | 0.0086 | 0.0058 |
Trypanosoma brucei | acetyl-CoA carboxylase | 0.0368 | 1 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0042 | 0.0086 | 0.047 |
Mycobacterium tuberculosis | Probable pyruvate carboxylase Pca (pyruvic carboxylase) | 0.014 | 0.3067 | 1 |
Mycobacterium ulcerans | bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 | 0.014 | 0.3067 | 0.3221 |
Toxoplasma gondii | acyl-CoA carboxyltransferase beta chain, putative | 0.005 | 0.0318 | 0.0318 |
Leishmania major | carboxylase, putative | 0.014 | 0.3067 | 0.3067 |
Trypanosoma brucei | unspecified product | 0.0092 | 0.1605 | 0.1605 |
Trypanosoma cruzi | acetyl-CoA carboxylase | 0.0228 | 0.5734 | 1 |
Mycobacterium leprae | Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) | 0.014 | 0.3067 | 1 |
Echinococcus granulosus | transcription factor btf3 | 0.0042 | 0.0086 | 0.0058 |
Loa Loa (eye worm) | ICD-1 protein | 0.0042 | 0.0086 | 0.006 |
Toxoplasma gondii | acetyl-coA carboxylase ACC2 | 0.0368 | 1 | 1 |
Echinococcus multilocularis | transcription factor btf3 | 0.0042 | 0.0086 | 0.0058 |
Mycobacterium ulcerans | glutaminase | 0.033 | 0.8852 | 1 |
Leishmania major | 3-methylcrotonoyl-CoA carboxylase beta subunit, putative | 0.005 | 0.0318 | 0.0318 |
Schistosoma mansoni | propionyl-CoA carboxylase beta chain mitochondrial precursor | 0.005 | 0.0318 | 0.029 |
Echinococcus granulosus | propionyl coenzyme A carboxylase alpha chain | 0.014 | 0.3067 | 0.3047 |
Trichomonas vaginalis | glutaminase, putative | 0.033 | 0.8852 | 1 |
Loa Loa (eye worm) | nucleolar RNA-associated protein alpha | 0.0343 | 0.9231 | 0.9607 |
Brugia malayi | RNA, U transporter 1 | 0.0091 | 0.1579 | 0.1618 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0483 | 0.0455 |
Trypanosoma cruzi | 3-methylcrotonoyl-CoA carboxylase beta subunit, putative | 0.005 | 0.0318 | 0.0555 |
Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.0086 | 0.0151 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.0086 | 0.0098 |
Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.0086 | 0.0151 |
Trypanosoma brucei | 3-methylcrotonyl-CoA carboxylase alpha subunit, putative | 0.014 | 0.3067 | 0.3067 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0483 | 0.0455 |
Echinococcus multilocularis | acetyl coenzyme A carboxylase 1 | 0.0368 | 1 | 1 |
Brugia malayi | Carboxyl transferase domain containing protein | 0.0355 | 0.9608 | 1 |
Loa Loa (eye worm) | carboxyl transferase domain-containing protein | 0.0355 | 0.9608 | 1 |
Schistosoma mansoni | acetyl-CoA carboxylase | 0.0368 | 1 | 1 |
Echinococcus multilocularis | snurportin 1 | 0.0343 | 0.9231 | 0.9229 |
Plasmodium falciparum | biotin carboxylase subunit of acetyl CoA carboxylase, putative | 0.0266 | 0.6905 | 1 |
Wolbachia endosymbiont of Brugia malayi | Acetyl/propionyl-CoA carboxylase, alpha subunit | 0.014 | 0.3067 | 1 |
Toxoplasma gondii | NAC domain-containing protein | 0.0042 | 0.0086 | 0.0086 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
EC50 (functional) | = 3.732 um | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] | ChEMBL. | No reference |
EC50 (functional) | > 150 um | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] | ChEMBL. | No reference |
IC50 (binding) | = 22.7 uM | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967] | ChEMBL. | No reference |
IC50 (functional) | 40.46 uM | PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] | ChEMBL. | No reference |
MIC (functional) | > 256 ug ml-1 | Antimicrobial activity against Escherichia coli ATCC 29213 after 18 to 24 hrs by alamar blue assay | ChEMBL. | 21075637 |
Potency (functional) | 5.2213 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) | 7.9433 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) | 10 uM | PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 19.0115 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 25.1189 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) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Confirmation of Cherrypicks. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 26.1216 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with 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), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] | 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) | 32.6427 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) | 35.4813 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) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Cherrypicks in WT IDH1. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of alpha-syn Inhibitors. (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 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) | 39.8107 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
Potency (functional) | 44.6684 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) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 47.7548 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] | ChEMBL. | No reference |
Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 79.4328 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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.