Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | RecQ helicase-like | 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 9 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
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 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Giardia lamblia | U5 small nuclear ribonucleoprotein 200 kDa helicase, putative | RecQ helicase-like | 649 aa | 521 aa | 19.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Toxoplasma gondii | cytochrome p450 superfamily protein | 0.0017 | 0.1042 | 0.4394 |
Schistosoma mansoni | cytochrome P450 | 0.0017 | 0.1042 | 0.4394 |
Mycobacterium tuberculosis | Probable cytochrome P450 137 Cyp137 | 0.0017 | 0.1042 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.2371 | 0.2302 |
Mycobacterium tuberculosis | Probable cytochrome P450 140 Cyp140 | 0.0017 | 0.1042 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0028 | 0.3099 | 1 |
Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0024 | 0.2371 | 0.5 |
Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.2371 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 124 Cyp124 | 0.0017 | 0.1042 | 0.5 |
Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.2371 | 0.7582 |
Loa Loa (eye worm) | RecQ helicase | 0.0024 | 0.2371 | 0.2302 |
Entamoeba histolytica | recQ family helicase, putative | 0.0024 | 0.2371 | 1 |
Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.2371 | 0.5 |
Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.009 | 0.0381 |
Trypanosoma cruzi | cytochrome p450-like protein, putative | 0.0017 | 0.1042 | 0.3163 |
Mycobacterium tuberculosis | Probable cytochrome P450 132 Cyp132 | 0.0017 | 0.1042 | 0.5 |
Trypanosoma cruzi | Lanosterol 14-alpha demethylase | 0.0017 | 0.1042 | 0.3163 |
Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0012 | 0.009 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0028 | 0.3099 | 0.3036 |
Brugia malayi | Cytochrome P450 family protein | 0.0028 | 0.3099 | 0.2296 |
Entamoeba histolytica | recQ family DNA helicase | 0.0012 | 0.009 | 0.0381 |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | 0.0017 | 0.1042 | 0.5 |
Echinococcus granulosus | bloom syndrome protein | 0.0024 | 0.2371 | 1 |
Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.2371 | 1 |
Schistosoma mansoni | DNA helicase recq1 | 0.0024 | 0.2371 | 1 |
Echinococcus multilocularis | ATP dependent DNA helicase Q1 | 0.0024 | 0.2371 | 1 |
Trypanosoma cruzi | Lanosterol 14-alpha demethylase | 0.0017 | 0.1042 | 0.3163 |
Leishmania major | cytochrome p450-like protein | 0.0028 | 0.3099 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 141 Cyp141 | 0.0017 | 0.1042 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 monooxygenase 142 Cyp142 | 0.0017 | 0.1042 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 139 Cyp139 | 0.0017 | 0.1042 | 0.5 |
Trypanosoma brucei | cytochrome P450, putative | 0.0028 | 0.3099 | 1 |
Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0024 | 0.2371 | 0.2302 |
Mycobacterium leprae | Conserved hypothetical protein | 0.0017 | 0.1042 | 0.5 |
Echinococcus granulosus | ATP dependent DNA helicase Q1 | 0.0024 | 0.2371 | 1 |
Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.2371 | 0.5 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0028 | 0.3099 | 0.3036 |
Schistosoma mansoni | DNA helicase recq5 | 0.0024 | 0.2371 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0028 | 0.3099 | 0.2296 |
Echinococcus multilocularis | ATP dependent DNA helicase Q5 | 0.0024 | 0.2371 | 1 |
Plasmodium falciparum | ATP-dependent DNA helicase Q1 | 0.0024 | 0.2371 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 126 Cyp126 | 0.0017 | 0.1042 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 135A1 Cyp135A1 | 0.0017 | 0.1042 | 0.5 |
Echinococcus granulosus | ATP dependent DNA helicase Q5 | 0.0024 | 0.2371 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 143 Cyp143 | 0.0017 | 0.1042 | 0.5 |
Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.2371 | 0.1484 |
Mycobacterium tuberculosis | Probable cytochrome P450 130 Cyp130 | 0.0017 | 0.1042 | 0.5 |
Echinococcus multilocularis | bloom syndrome protein | 0.0024 | 0.2371 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0063 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0017 | 0.1042 | 0.4394 |
Leishmania major | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.2371 | 0.6464 |
Brugia malayi | Bloom's syndrome protein homolog | 0.0024 | 0.2371 | 0.1484 |
Mycobacterium tuberculosis | Probable cytochrome P450 138 Cyp138 | 0.0017 | 0.1042 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 128 Cyp128 | 0.0017 | 0.1042 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 125 Cyp125 | 0.0017 | 0.1042 | 0.5 |
Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.2371 | 0.1484 |
Trypanosoma brucei | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.2371 | 0.6464 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0028 | 0.3099 | 0.3036 |
Mycobacterium tuberculosis | Cytochrome P450 121 Cyp121 | 0.0017 | 0.1042 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0028 | 0.3099 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.009 | 0.0000000019358 |
Mycobacterium tuberculosis | Probable cytochrome P450 123 Cyp123 | 0.0017 | 0.1042 | 0.5 |
Treponema pallidum | ATP-dependent DNA helicase | 0.0012 | 0.009 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 | 0.0017 | 0.1042 | 0.096 |
Mycobacterium leprae | putative cytochrome p450 | 0.0017 | 0.1042 | 0.5 |
Trichomonas vaginalis | DNA helicase recq1, putative | 0.0024 | 0.2371 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 135B1 Cyp135B1 | 0.0017 | 0.1042 | 0.5 |
Schistosoma mansoni | blooms syndrome DNA helicase | 0.0012 | 0.009 | 0.0381 |
Mycobacterium tuberculosis | Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) | 0.0017 | 0.1042 | 0.5 |
Giardia lamblia | Sgs1 DNA helicase, putative | 0.0024 | 0.2371 | 0.5 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0028 | 0.3099 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 144 Cyp144 | 0.0017 | 0.1042 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | = 1.258925412 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) | = 1.995262315 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) | = 3.16227766 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) | = 3.981071706 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) | = 35.48133892 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 |
Potency (functional) | 1.3115 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) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] | ChEMBL. | No reference |
Potency (functional) | 18.526 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 (binding) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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.