Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | 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 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
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 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Giardia lamblia | Nitric oxide synthase, inducible | 0.0047 | 0.5573 | 0.5 |
Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0053 | 0.7197 | 1 |
Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0053 | 0.7197 | 1 |
Leishmania major | p450 reductase, putative | 0.0053 | 0.7197 | 1 |
Schistosoma mansoni | NADPH flavin oxidoreductase | 0.0027 | 0.0109 | 0.0151 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0026 | 0 | 0.5 |
Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0053 | 0.7197 | 1 |
Chlamydia trachomatis | sulfite reductase | 0.0033 | 0.1733 | 0.5 |
Brugia malayi | FAD binding domain containing protein | 0.0053 | 0.7197 | 0.7081 |
Loa Loa (eye worm) | hypothetical protein | 0.0053 | 0.7197 | 0.7081 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0053 | 0.7197 | 1 |
Schistosoma mansoni | cytochrome P450 reductase | 0.0053 | 0.7197 | 1 |
Plasmodium falciparum | nitric oxide synthase, putative | 0.0053 | 0.7197 | 0.5 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0053 | 0.7197 | 0.7081 |
Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0053 | 0.7197 | 1 |
Trichomonas vaginalis | sulfite reductase, putative | 0.0053 | 0.7197 | 1 |
Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0053 | 0.7197 | 1 |
Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0053 | 0.7197 | 1 |
Brugia malayi | flavodoxin family protein | 0.0053 | 0.7197 | 0.7081 |
Trypanosoma cruzi | p450 reductase, putative | 0.0053 | 0.7197 | 1 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0026 | 0 | 0.5 |
Brugia malayi | FAD binding domain containing protein | 0.0033 | 0.1733 | 0.1391 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0033 | 0.1733 | 0.1391 |
Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0053 | 0.7197 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0053 | 0.7197 | 1 |
Leishmania major | cytochrome P450 reductase, putative | 0.0047 | 0.5573 | 0.7612 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0053 | 0.7197 | 1 |
Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0053 | 0.7197 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0053 | 0.7197 | 1 |
Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0033 | 0.1733 | 0.2407 |
Giardia lamblia | Hypothetical protein | 0.0047 | 0.5573 | 0.5 |
Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0053 | 0.7197 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0063 | 1 | 1 |
Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0053 | 0.7197 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | = 3.16227766 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 3.16227766 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 3.16227766 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 3.981071706 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
Potency (ADMET) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
Potency (ADMET) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] | ChEMBL. | No reference |
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.