Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | caspase 3, apoptosis-related cysteine peptidase | Starlite/ChEMBL | References |
Homo sapiens | caspase 8, apoptosis-related cysteine peptidase | Starlite/ChEMBL | References |
Homo sapiens | caspase 1, apoptosis-related cysteine peptidase | Starlite/ChEMBL | References |
Homo sapiens | caspase 7, apoptosis-related cysteine peptidase | Starlite/ChEMBL | References |
Homo sapiens | caspase 6, apoptosis-related cysteine peptidase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Cell death protein 3 precursor | caspase 6, apoptosis-related cysteine peptidase | 293 aa | 270 aa | 34.4 % |
Echinococcus granulosus | caspase 8 | caspase 1, apoptosis-related cysteine peptidase | 383 aa | 312 aa | 26.6 % |
Brugia malayi | Cell death protein 3 precursor | caspase 3, apoptosis-related cysteine peptidase | 277 aa | 253 aa | 38.7 % |
Brugia malayi | Cell death protein 3 precursor | caspase 7, apoptosis-related cysteine peptidase | 303 aa | 256 aa | 37.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | caspase 8 | 0.0139 | 0.0025 | 0.0025 |
Schistosoma mansoni | subfamily C14A unassigned peptidase (C14 family) | 0.0139 | 0.0025 | 0.0025 |
Echinococcus granulosus | caspase 3 | 0.0176 | 0.2112 | 0.2112 |
Toxoplasma gondii | enoyl-acyl carrier reductase ENR | 0.0187 | 0.2771 | 0.5422 |
Schistosoma mansoni | caspase-7 (C14 family) | 0.0315 | 1 | 1 |
Trypanosoma cruzi | metacaspase, putative | 0.0139 | 0.0025 | 1 |
Mycobacterium ulcerans | enoyl-(acyl carrier protein) reductase | 0.0187 | 0.2771 | 1 |
Echinococcus granulosus | caspase 2 | 0.0189 | 0.2851 | 0.2851 |
Trypanosoma brucei | metacaspase 5, putative | 0.0139 | 0.0025 | 1 |
Trypanosoma cruzi | metacaspase 5, putative | 0.0139 | 0.0025 | 1 |
Trypanosoma brucei | metacaspase | 0.0139 | 0.0025 | 1 |
Trypanosoma cruzi | metacaspase, putative | 0.0139 | 0.0025 | 1 |
Plasmodium vivax | enoyl-acyl carrier protein reductase | 0.0187 | 0.2771 | 0.5422 |
Trypanosoma brucei | metacaspase MCA2 | 0.0139 | 0.0025 | 1 |
Chlamydia trachomatis | 3-hydroxyacyl-ACP dehydratase | 0.0228 | 0.5089 | 1 |
Echinococcus multilocularis | caspase | 0.0315 | 1 | 1 |
Trypanosoma brucei | metacaspase MCA3 | 0.0139 | 0.0025 | 1 |
Echinococcus granulosus | caspase | 0.0315 | 1 | 1 |
Brugia malayi | Cell death protein 3 precursor | 0.0189 | 0.2851 | 1 |
Trypanosoma brucei | Metacaspase-4 | 0.0139 | 0.0025 | 1 |
Onchocerca volvulus | Cell death protein 3 homolog | 0.0189 | 0.2851 | 0.5 |
Echinococcus granulosus | caspase 8 | 0.0139 | 0.0025 | 0.0025 |
Mycobacterium tuberculosis | NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) | 0.0187 | 0.2771 | 0.5 |
Leishmania major | metacaspase, putative | 0.0139 | 0.0025 | 1 |
Toxoplasma gondii | beta-hydroxyacyl-acyl carrier protein dehydratase (FABZ) | 0.0228 | 0.5089 | 1 |
Wolbachia endosymbiont of Brugia malayi | (3R)-hydroxymyristoyl-ACP dehydratase | 0.0228 | 0.5089 | 1 |
Echinococcus multilocularis | caspase 3, apoptosis cysteine peptidase | 0.0315 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0139 | 0.0025 | 0.0089 |
Loa Loa (eye worm) | hypothetical protein | 0.0189 | 0.2851 | 1 |
Schistosoma mansoni | caspase-3 (C14 family) | 0.0315 | 1 | 1 |
Mycobacterium leprae | NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) | 0.0187 | 0.2771 | 0.5 |
Plasmodium vivax | beta-hydroxyacyl-ACP dehydratase precursor, putative | 0.0228 | 0.5089 | 1 |
Brugia malayi | mucosa associated lymphoid tissue lymphoma translocation protein 1 | 0.0139 | 0.0025 | 0.0089 |
Schistosoma mansoni | caspase-7 (C14 family) | 0.0189 | 0.2851 | 0.2851 |
Trypanosoma cruzi | metacaspase, putative | 0.0139 | 0.0025 | 1 |
Plasmodium falciparum | enoyl-acyl carrier reductase | 0.0187 | 0.2771 | 0.5422 |
Echinococcus multilocularis | caspase 3 | 0.0176 | 0.2112 | 0.2112 |
Trypanosoma cruzi | metacaspase, putative | 0.0139 | 0.0025 | 1 |
Trichomonas vaginalis | hypothetical protein | 0.0187 | 0.2771 | 1 |
Echinococcus multilocularis | caspase 2 | 0.0189 | 0.2851 | 0.2851 |
Plasmodium falciparum | beta-hydroxyacyl-ACP dehydratase | 0.0228 | 0.5089 | 1 |
Trypanosoma cruzi | metacaspase 5, putative | 0.0139 | 0.0025 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 0.408 uM | Inhibition of caspase-1 | ChEMBL. | 12270185 |
IC50 (binding) | = 0.408 uM | Inhibition of caspase-1 | ChEMBL. | 12270185 |
IC50 (binding) | = 0.967 uM | Inhibitory concentration against caspase-3 | ChEMBL. | 12270185 |
IC50 (binding) | = 0.967 uM | Inhibitory concentration against caspase-3 | ChEMBL. | 12270185 |
IC50 (binding) | = 11.2 uM | Inhibitory concentration against caspase-8 | ChEMBL. | 12270185 |
IC50 (binding) | = 11.2 uM | Inhibitory concentration against caspase-8 | ChEMBL. | 12270185 |
IC50 (binding) | = 11.3 uM | Inhibitory concentration against caspase-7 | ChEMBL. | 12270185 |
IC50 (binding) | = 11.3 uM | Inhibitory concentration against caspase-7 | ChEMBL. | 12270185 |
IC50 (binding) | = 11.8 uM | Inhibitory concentration required against caspase-6 | ChEMBL. | 12270185 |
IC50 (binding) | = 11.8 uM | Inhibitory concentration required against caspase-6 | ChEMBL. | 12270185 |
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.
1 literature reference was collected for this gene.