Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Homo sapiens | prostaglandin E receptor 2 (subtype EP2), 53kDa | Starlite/ChEMBL | References |
Homo sapiens | prostaglandin E receptor 1 (subtype EP1), 42kDa | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | References |
Homo sapiens | prostaglandin E receptor 3 (subtype EP3) | Starlite/ChEMBL | References |
Homo sapiens | thromboxane A2 receptor | Starlite/ChEMBL | References |
Homo sapiens | prostaglandin E receptor 4 (subtype EP4) | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
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 |
---|---|---|---|---|
Echinococcus multilocularis | Mastin | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Echinococcus granulosus | subfamily S1A unassigned peptidase S01 family | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Onchocerca volvulus | 0.0214 | 1 | 0.5 | |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Onchocerca volvulus | 0.0214 | 1 | 0.5 | |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0214 | 1 | 1 |
Echinococcus multilocularis | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Onchocerca volvulus | 0.0214 | 1 | 0.5 | |
Loa Loa (eye worm) | hypothetical protein | 0.0214 | 1 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0067 | 0.1955 | 0.1955 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Brugia malayi | hypothetical protein | 0.0214 | 1 | 1 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Echinococcus granulosus | Peptidase S1 S6 chymotrypsin Hap | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Trypanosoma brucei | cytochrome P450, putative | 0.0032 | 0 | 0.5 |
Brugia malayi | Trypsin family protein | 0.0214 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0032 | 0 | 0.5 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0214 | 1 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0214 | 1 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0067 | 0.1955 | 0.1955 |
Loa Loa (eye worm) | hypothetical protein | 0.0214 | 1 | 1 |
Brugia malayi | Trypsin-like protease protein 5 | 0.0214 | 1 | 1 |
Loa Loa (eye worm) | trypsin family protein | 0.0214 | 1 | 1 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0214 | 1 | 0.5 |
Echinococcus multilocularis | transmembrane protease serine 3 | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0214 | 1 | 0.5 |
Echinococcus multilocularis | glycoprotein Antigen 5 | 0.0214 | 1 | 0.5 |
Onchocerca volvulus | 0.0214 | 1 | 0.5 | |
Echinococcus granulosus | transmembrane protease serine 3 | 0.0214 | 1 | 0.5 |
Leishmania major | cytochrome p450-like protein | 0.0032 | 0 | 0.5 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0214 | 1 | 1 |
Onchocerca volvulus | 0.0214 | 1 | 0.5 | |
Echinococcus multilocularis | enteropeptidase | 0.0214 | 1 | 0.5 |
Echinococcus granulosus | enteropeptidase | 0.0214 | 1 | 0.5 |
Echinococcus granulosus | glycoprotein Antigen 5 | 0.0214 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0214 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0214 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0214 | 1 | 1 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Schistosoma mansoni | aminopeptidase PILS (M01 family) | 0.0214 | 1 | 0.5 |
Brugia malayi | Trypsin family protein | 0.0214 | 1 | 1 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0032 | 0 | 0.5 |
Brugia malayi | Trypsin family protein | 0.0214 | 1 | 1 |
Schistosoma mansoni | cercarial elastase (S01 family) | 0.0214 | 1 | 0.5 |
Echinococcus multilocularis | Peptidase S1 S6, chymotrypsin Hap | 0.0214 | 1 | 0.5 |
Brugia malayi | Chymotrypsin-like protease CTRL-1 precursor | 0.0214 | 1 | 1 |
Echinococcus granulosus | Mastin | 0.0214 | 1 | 0.5 |
Onchocerca volvulus | 0.0214 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CL (ADMET) | = 19 ml/min.kg | Intrinsic clearance in human liver microsomes | ChEMBL. | 24252546 |
IC50 (binding) | = 20 nM | Antagonist activity human EP1 receptor assessed as inhibition of PGE2-induced effect by reporter gene assay | ChEMBL. | 24252546 |
IC50 (binding) | = 60 nM | Antagonist activity human EP1 receptor assessed as inhibition of PGE2-induced intracellular Ca2+ release by cell-based assay | ChEMBL. | 24252546 |
IC50 (binding) | = 0.2 uM | Inhibition of TP receptor (unknown origin) | ChEMBL. | 24252546 |
IC50 (ADMET) | = 5.62 uM | Inhibition of human CYP2C9 | ChEMBL. | 24252546 |
IC50 (ADMET) | = 6.14 uM | Inhibition of human CYP2C19 | ChEMBL. | 24252546 |
IC50 (ADMET) | = 7.1 uM | Inhibition of human CYP1A2 | ChEMBL. | 24252546 |
IC50 (ADMET) | > 10 uM | Inhibition of human CYP3A4 | ChEMBL. | 24252546 |
IC50 (ADMET) | > 10 uM | Inhibition of human CYP2D6 | ChEMBL. | 24252546 |
Ki (binding) | = 8 nM | Binding affinity to human EP1 receptor | ChEMBL. | 24252546 |
Ki (binding) | > 2700 nM | Binding affinity to human EP4 receptor | ChEMBL. | 24252546 |
Ki (binding) | > 5000 nM | Binding affinity to human EP3 receptor | ChEMBL. | 24252546 |
Ki (binding) | > 8700 nM | Binding affinity to human EP2 receptor | ChEMBL. | 24252546 |
PPB (ADMET) | = 99 % | Binding affinity to albumin in plasma (unknown origin) | ChEMBL. | 24252546 |
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.