Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0786 | 1 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0786 | 1 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0786 | 1 | 1 |
Echinococcus multilocularis | acetylcholinesterase | 0.0786 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0786 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.029 | 0.0944 | 0.0792 |
Schistosoma mansoni | matrix metallopeptidase-7 (M10 family) | 0.029 | 0.0944 | 0.0944 |
Loa Loa (eye worm) | hypothetical protein | 0.0786 | 1 | 1 |
Mycobacterium tuberculosis | Probable peptidoglycan hydrolase | 0.0248 | 0.0166 | 0.5 |
Onchocerca volvulus | Matrix metalloproteinase homolog | 0.0451 | 0.3884 | 0.7097 |
Onchocerca volvulus | Matrilysin homolog | 0.0538 | 0.5474 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0786 | 1 | 1 |
Echinococcus granulosus | carboxylesterase 5A | 0.0786 | 1 | 1 |
Brugia malayi | Matrix metalloprotease, N-terminal domain containing protein | 0.0248 | 0.0166 | 0.0166 |
Echinococcus multilocularis | acetylcholinesterase | 0.0786 | 1 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0786 | 1 | 1 |
Loa Loa (eye worm) | matrixin family protein | 0.0529 | 0.5308 | 0.5229 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0786 | 1 | 1 |
Loa Loa (eye worm) | matrixin family protein | 0.0451 | 0.3884 | 0.3782 |
Mycobacterium ulcerans | hydrolase | 0.0248 | 0.0166 | 0.5 |
Mycobacterium leprae | PROBABLE HYDROLASE | 0.0248 | 0.0166 | 0.5 |
Brugia malayi | Matrixin family protein | 0.0529 | 0.5308 | 0.5308 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0786 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CLH (ADMET) | < 2 uL/min | Intrinsic clearance in human hepatocytes assessed per 10'6 cells | ChEMBL. | 22153941 |
Fu (ADMET) | = 41 % | Fraction unbound in human | ChEMBL. | 22153941 |
IC50 (binding) | > 5 | Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | > 5 | Inhibition of MMP9 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | = 5.1 | Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | = 5.1 | Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | = 7.1 | Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | = 0.074 uM | Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | = 7.3 uM | Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | > 8 uM | Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (ADMET) | > 10 uM | Inhibition of CYP3A4 | ChEMBL. | 22153941 |
IC50 (ADMET) | > 10 uM | Inhibition of CYP2D6 | ChEMBL. | 22153941 |
IC50 (ADMET) | > 10 uM | Inhibition of CYP2C19 | ChEMBL. | 22153941 |
IC50 (ADMET) | > 10 uM | Inhibition of CYP2C9 | ChEMBL. | 22153941 |
IC50 (ADMET) | > 10 uM | Inhibition of CYP1A2 | ChEMBL. | 22153941 |
IC50 (binding) | > 10 uM | Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | > 10 uM | Inhibition of MMP9 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | > 10 uM | Inhibition of MMP1 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | > 10 uM | Inhibition of MMP3 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | > 10 uM | Inhibition of MMP19 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis | ChEMBL. | 22153941 |
IC50 (binding) | > 100 uM | Inhibition of human ERG | ChEMBL. | 22153941 |
INH (binding) | > 10 uM | Inhibition of ADAM-TS4 using dimethoxyfluorescein-Ser-Pro-Leu-Ala-Gln-Ala- Val-Arg-ser-Ser-Arg-Cys-fluorescein as substrate | ChEMBL. | 22153941 |
INH (binding) | > 10 uM | Inhibition of ADAM-TS5 using dimethoxyfluorescein-Ser-Pro-Leu-Ala-Gln-Ala- Val-Arg-ser-Ser-Arg-Cys-fluorescein as substrate | ChEMBL. | 22153941 |
INH (binding) | > 100 uM | Inhibition of ADAM-TS1 dimethoxyfluorescein-Ser-Pro-Leu-Ala-Gln-Ala- Val-Arg-ser-Ser-Arg-Cys-fluorescein | ChEMBL. | 22153941 |
Papp (ADMET) | = 0.3 ucm/s | Apparent permeability across apical to basolateral side in human Caco2 cells at 10 uM | ChEMBL. | 22153941 |
Papp (ADMET) | = 7.4 ucm/s | Apparent permeability across basolateral to apical side in human Caco2 cells at 10 uM | ChEMBL. | 22153941 |
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.