Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | MDM2 proto-oncogene, E3 ubiquitin protein ligase | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | 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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Onchocerca volvulus | 0.0013 | 0.8119 | 1 | |
Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0013 | 0.8119 | 1 |
Plasmodium vivax | hypothetical protein, conserved | 0.0013 | 0.8119 | 0.5 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0015 | 1 | 0.5 |
Toxoplasma gondii | SWIB/MDM2 domain-containing protein | 0.0013 | 0.8119 | 1 |
Loa Loa (eye worm) | SWIB/MDM2 domain-containing protein | 0.0013 | 0.8119 | 0.8119 |
Echinococcus multilocularis | SWI:SNF matrix associated | 0.0013 | 0.8119 | 1 |
Loa Loa (eye worm) | brahma associated protein | 0.0013 | 0.8119 | 0.8119 |
Schistosoma mansoni | brg-1 associated factor | 0.0013 | 0.8119 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0015 | 1 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 1 | 1 |
Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0013 | 0.8119 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0013 | 0.8119 | 1 |
Toxoplasma gondii | DNA topoisomerase domain-containing protein | 0.0013 | 0.8119 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 1 | 1 |
Leishmania major | cytochrome p450-like protein | 0.0015 | 1 | 1 |
Echinococcus multilocularis | SWI:SNF matrix associated | 0.0013 | 0.8119 | 1 |
Echinococcus granulosus | Upstream activation factor subunit UAF30 | 0.0013 | 0.8119 | 1 |
Echinococcus multilocularis | SWI:SNF matrix associated | 0.0013 | 0.8119 | 1 |
Brugia malayi | SWIB/MDM2 domain containing protein | 0.0013 | 0.8119 | 0.8119 |
Schistosoma mansoni | hypothetical protein | 0.0013 | 0.8119 | 1 |
Echinococcus granulosus | SWI:SNF matrix associated | 0.0013 | 0.8119 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0015 | 1 | 1 |
Echinococcus multilocularis | Upstream activation factor subunit UAF30 | 0.0013 | 0.8119 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.5833 | 0.5833 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0015 | 1 | 1 |
Chlamydia trachomatis | SWIB complex protein | 0.0013 | 0.8119 | 0.5 |
Chlamydia trachomatis | DNA topoisomerase I | 0.0013 | 0.8119 | 0.5 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0013 | 0.8119 | 0.5 |
Plasmodium vivax | SWIB/MDM2 domain-containing protein, putative | 0.0013 | 0.8119 | 0.5 |
Brugia malayi | brahma associated protein 60 kDa | 0.0013 | 0.8119 | 0.8119 |
Brugia malayi | brahma associated protein 60 kDa | 0.0013 | 0.8119 | 0.8119 |
Trypanosoma brucei | cytochrome P450, putative | 0.0015 | 1 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0013 | 0.8119 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0015 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 0.1 nM | Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for 20 mins by HTRF assay | ChEMBL. | 25384157 |
IC50 (binding) | = 0.102 nM | BindingDB_Patents: Homogenous Time-Resolved Fluorescence Assay (HTRF). The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1PBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 2.5 nM GST-hMDM2 (aa 1-188), 5 nM biotinylated-p53 (aa 1-83), 1.8 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 200 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione S-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag-TrxA-6His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography.Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+compound mixture. | ChEMBL. | No reference |
IC50 (functional) | = 1.2 nM | Antiproliferative activity against human SJSA1 cells assessed as inhibition of EdU incorporation after 16 hrs by Click-iT EdU HCS assay in presence of 10% human serum | ChEMBL. | 25384157 |
IC50 (binding) | = 15.5 nM | Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 gene level after 7 hrs by qRT-PCR assay in presence of 10% human serum | ChEMBL. | 25384157 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | 25384157 |
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.