Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | arachidonate 15-lipoxygenase, type B | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | CYP4Cod1 | 0.0327 | 1 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0327 | 1 | 1 |
Mycobacterium leprae | putative cytochrome p450 | 0.0097 | 0 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0327 | 1 | 1 |
Leishmania major | cytochrome p450-like protein | 0.0327 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0327 | 1 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0327 | 1 | 1 |
Mycobacterium tuberculosis | Cytochrome P450 121 Cyp121 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 126 Cyp126 | 0.0097 | 0 | 0.5 |
Trypanosoma brucei | cytochrome P450, putative | 0.0327 | 1 | 1 |
Echinococcus multilocularis | arachidonate 5 lipoxygenase | 0.0142 | 0.1967 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 138 Cyp138 | 0.0097 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.023 | 0.5775 | 0.5775 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0327 | 1 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 132 Cyp132 | 0.0097 | 0 | 0.5 |
Schistosoma mansoni | lipoxygenase | 0.0142 | 0.1967 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 128 Cyp128 | 0.0097 | 0 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.012 | 0.1002 | 0.1002 |
Schistosoma mansoni | lipoxygenase | 0.01 | 0.0104 | 0.0529 |
Mycobacterium tuberculosis | Probable cytochrome P450 137 Cyp137 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 141 Cyp141 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 140 Cyp140 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 130 Cyp130 | 0.0097 | 0 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.012 | 0.1002 | 0.1002 |
Brugia malayi | Cytochrome P450 family protein | 0.0327 | 1 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 144 Cyp144 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 124 Cyp124 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 135A1 Cyp135A1 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 125 Cyp125 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 143 Cyp143 | 0.0097 | 0 | 0.5 |
Toxoplasma gondii | cytochrome p450 superfamily protein | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 139 Cyp139 | 0.0097 | 0 | 0.5 |
Mycobacterium leprae | Conserved hypothetical protein | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 135B1 Cyp135B1 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 monooxygenase 142 Cyp142 | 0.0097 | 0 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 123 Cyp123 | 0.0097 | 0 | 0.5 |
Echinococcus granulosus | arachidonate 5 lipoxygenase | 0.0142 | 0.1967 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | 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) | 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) | = 14.12537545 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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 39.81071706 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 (functional) | 2.3323 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) | 10.4179 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) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] | ChEMBL. | No reference |
Potency (functional) | 20.5962 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) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 35.4813 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) | 44.6684 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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.