Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | References |
Homo sapiens | adenosine A2b receptor | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Homo sapiens | adenosine A2a receptor | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Brugia malayi | follicle stimulating hormone receptor | adenosine A2a receptor | 412 aa | 336 aa | 22.3 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 1 | 0.5 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0019 | 1 | 1 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0019 | 1 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 1 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 1 | 0.5 |
Trypanosoma brucei | cytochrome P450, putative | 0.0019 | 1 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 1 | 1 |
Leishmania major | cytochrome p450-like protein | 0.0019 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | = 1 uM | Inhibition of CYP3A4 in human liver microsomes | ChEMBL. | 24900298 |
IC50 (ADMET) | = 5 uM | Inhibition of CYP2D6 in human liver microsomes | ChEMBL. | 24900298 |
IC50 (ADMET) | > 25 uM | Inhibition of CYP1A2 in human liver microsomes | ChEMBL. | 24900298 |
IC50 (ADMET) | > 25 uM | Inhibition of CYP2C9 in human liver microsomes | ChEMBL. | 24900298 |
Inhibition (binding) | = 22 % | Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells at 1 uM after 3 hrs by filtration binding assay | ChEMBL. | 24900298 |
Inhibition (binding) | = 33 % | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells at 1 uM after 90 mins by filtration binding assay | ChEMBL. | 24900298 |
Ki (binding) | = 32 nM | Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay | ChEMBL. | 24900298 |
Ki (binding) | = 312 nM | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay | ChEMBL. | 24900298 |
Papp (ADMET) | = 22 10'-6 cm/s | Apparent permeability from basolateral to apical side in human Caco2 cells at 12.5 uM | ChEMBL. | 24900298 |
Papp (ADMET) | = 34 10'-6 cm/s | Apparent permeability from apical to basolateral side in human Caco2 cells at 12.5 uM | ChEMBL. | 24900298 |
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.