Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | hypothetical protein | 0.0168 | 1 | 1 |
Brugia malayi | Bromodomain containing protein | 0.0038 | 0.1187 | 0.2673 |
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0036 | 0.1028 | 0.0911 |
Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.1351 | 0.4014 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0036 | 0.1028 | 0.0911 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0059 | 0.2625 | 0.2529 |
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0059 | 0.2625 | 0.2529 |
Echinococcus multilocularis | geminin | 0.0168 | 1 | 1 |
Brugia malayi | Bromodomain containing protein | 0.0074 | 0.3653 | 1 |
Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0022 | 0.0128 | 0.0128 |
Loa Loa (eye worm) | hypothetical protein | 0.0042 | 0.1479 | 0.4395 |
Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.1192 | 0.3541 |
Schistosoma mansoni | bromodomain containing protein | 0.0063 | 0.2866 | 0.2866 |
Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.3366 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0168 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (ADMET) | Toxicity in SCID mouse xenografted with human A375 cells at 100 mg/kg | ChEMBL. | 19615898 | |
Activity (ADMET) | Toxicity in SCID mouse xenografted with human A375 cells at 300 mg/kg | ChEMBL. | 19615898 | |
Activity (ADMET) | Toxicity in SCID mouse xenografted with human A375 cells at 200 mg/kg | ChEMBL. | 19615898 | |
IC50 (functional) | = 51.4 uM | Cytotoxicity against human MCF7 cells after 5 days by MTT assay | ChEMBL. | 19615898 |
IC50 (functional) | = 98.5 uM | Cytotoxicity against human HepG2 cells after 5 days by MTT assay | ChEMBL. | 19615898 |
IC50 (functional) | = 105.4 uM | Cytotoxicity against human HT-29 cells after 5 days by MTT assay | ChEMBL. | 19615898 |
IC50 (functional) | = 124.5 uM | Cytotoxicity against human A375 cells after 5 days by MTT assay | ChEMBL. | 19615898 |
Inhibition (functional) | = 55 % | Cytotoxicity against human A375 cells assessed as inhibition of protein synthesis at 50 uM | ChEMBL. | 19615898 |
Inhibition (functional) | = 75 % | Cytotoxicity against human A375 cells assessed as inhibition of RNA synthesis at 50 uM | ChEMBL. | 19615898 |
Inhibition (functional) | = 102 % | Cytotoxicity against human A375 cells assessed as inhibition of DNA synthesis in at 50 uM | ChEMBL. | 19615898 |
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.