Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | beta-site APP-cleaving enzyme 1 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target/s | Ortholog Group |
---|---|---|---|
Schistosoma japonicum | ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative | Get druggable targets OG5_135830 | All targets in OG5_135830 |
Schistosoma mansoni | memapsin-2 (A01 family) | Get druggable targets OG5_135830 | All targets in OG5_135830 |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Plasmodium falciparum | plasmepsin VII | beta-site APP-cleaving enzyme 1 | 401 aa | 352 aa | 21.3 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium ulcerans | polyketide synthase | 0.0391 | 0.4361 | 0.5834 |
Mycobacterium ulcerans | Type I modular polyketide synthase | 0.0391 | 0.4361 | 0.5834 |
Loa Loa (eye worm) | hypothetical protein | 0.0219 | 0.1592 | 0.0823 |
Mycobacterium tuberculosis | Probable multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0415 | 0.4752 | 0.6357 |
Mycobacterium ulcerans | Type I modular polyketide synthase | 0.0391 | 0.4361 | 0.5834 |
Loa Loa (eye worm) | AMP-binding enzyme family protein | 0.0365 | 0.3948 | 0.3889 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsE | 0.0258 | 0.2228 | 0.2981 |
Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.0391 | 0.4361 | 0.5834 |
Mycobacterium ulcerans | polyketide synthase | 0.0415 | 0.4752 | 0.6357 |
Mycobacterium tuberculosis | Polyketide synthase Pks12 | 0.0415 | 0.4752 | 0.6357 |
Onchocerca volvulus | Fatty acid synthase homolog | 0.0704 | 0.9416 | 1 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.0391 | 0.4361 | 0.5834 |
Mycobacterium tuberculosis | Probable thioesterase TesA | 0.0326 | 0.3311 | 0.443 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE | 0.0258 | 0.2228 | 0.2941 |
Mycobacterium leprae | PROBABLE THIOESTERASE TESA | 0.0326 | 0.3311 | 0.4398 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA | 0.0391 | 0.4361 | 0.581 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks8 | 0.032 | 0.3214 | 0.4299 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks9 | 0.0222 | 0.1644 | 0.2199 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsB | 0.0314 | 0.3131 | 0.4188 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks5 | 0.0379 | 0.4168 | 0.5576 |
Loa Loa (eye worm) | fatty acid synthase | 0.0386 | 0.4277 | 0.4318 |
Mycobacterium leprae | Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas | 0.0415 | 0.4752 | 0.6337 |
Mycobacterium tuberculosis | Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) | 0.0365 | 0.3948 | 0.528 |
Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.0391 | 0.4361 | 0.5834 |
Toxoplasma gondii | beta-ketoacyl synthase, N-terminal domain-containing protein | 0.0254 | 0.2149 | 0.2574 |
Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.0391 | 0.4361 | 0.5834 |
Mycobacterium ulcerans | polyketide synthase Pks13 | 0.0584 | 0.7476 | 1 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks15 | 0.0158 | 0.061 | 0.0817 |
Mycobacterium ulcerans | Type I modular polyketide synthase | 0.0391 | 0.4361 | 0.5834 |
Mycobacterium ulcerans | thioesterase | 0.0326 | 0.3311 | 0.443 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB | 0.0314 | 0.3131 | 0.4155 |
Mycobacterium tuberculosis | Polyketide synthase Pks13 | 0.0584 | 0.7476 | 1 |
Schistosoma mansoni | memapsin-2 (A01 family) | 0.0521 | 0.6458 | 0.5 |
Mycobacterium tuberculosis | Probable membrane bound polyketide synthase Pks6 | 0.0584 | 0.7476 | 1 |
Mycobacterium leprae | Polyketide synthase Pks13 | 0.0584 | 0.7476 | 1 |
Mycobacterium ulcerans | thioesterase TesA | 0.0326 | 0.3311 | 0.443 |
Mycobacterium ulcerans | fatty acid synthase Fas | 0.0123 | 0.0042 | 0.0056 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks7 | 0.0415 | 0.4752 | 0.6357 |
Onchocerca volvulus | 0.068 | 0.9025 | 0.9285 | |
Mycobacterium tuberculosis | Polyketide synthetase MbtC (polyketide synthase) | 0.0134 | 0.0229 | 0.0306 |
Toxoplasma gondii | type I fatty acid synthase, putative | 0.0278 | 0.2547 | 0.3708 |
Mycobacterium tuberculosis | Polyketide synthase Pks2 | 0.0379 | 0.4168 | 0.5576 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.0415 | 0.4752 | 0.6357 |
Mycobacterium ulcerans | multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0415 | 0.4752 | 0.6357 |
Brugia malayi | Beta-ketoacyl synthase, N-terminal domain containing protein | 0.0391 | 0.4361 | 0.4361 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC | 0.0415 | 0.4752 | 0.6337 |
Mycobacterium leprae | Probable polyketide synthase Pks1 | 0.0415 | 0.4752 | 0.6337 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD | 0.0391 | 0.4361 | 0.581 |
Loa Loa (eye worm) | hypothetical protein | 0.0657 | 0.8643 | 1 |
Toxoplasma gondii | type I fatty acid synthase, putative | 0.0415 | 0.4752 | 1 |
Mycobacterium ulcerans | polyketide synthase Pks9 | 0.0258 | 0.2228 | 0.2981 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.0314 | 0.3131 | 0.4188 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks1 | 0.0281 | 0.2588 | 0.3461 |
Mycobacterium tuberculosis | Probable fatty acid synthase Fas (fatty acid synthetase) | 0.0123 | 0.0042 | 0.0056 |
Brugia malayi | AMP-binding enzyme family protein | 0.0365 | 0.3948 | 0.3948 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (functional) | = 34 % | Reduction of amyloid beta40 level in C57B1/6J mouse brain at 3 mg/kg, po after 4 hrs by AlphaLISA relative to control | ChEMBL. | 23590342 |
IC50 (binding) | = 46 nM | BindingDB_Patents: Inhitbition Assay. 48.5 .mu.L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=.epsilon.-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of 96-hole half-area plate (a black plate: Costar), and after addition of 0.5 .mu.l of the test compound (dissolved in N,N'-dimethyl formaldehyde) and 1 .mu.l of Recombinant human BACE1(R&D Systems), the reaction mixture was incubated at 30.degree. C. for 3 hours. The substrate peptide was synthesized by reacting Cryptate TBPCOOH mono SMP (CIS bio international) with Biotin-XSEVNLDAEFRHDSGC (Peptide Institute, Inc.). The final concentrations of the substrate peptide and Recombinant human BACE1 were adjusted to 18 nmol/L and 7.4 nmol/L, respectively, and the reaction was performed in sodium acetate buffer (50 mmol/L sodium acetate, pH 5.0, 0.008% Triton X-100).After the incubation for reaction, 50 .mu.l of 8.0 .mu.g/ml Streptavidin-XL665 (CIS bio international) dissolved in phosphate buffer. | ChEMBL. | No reference |
IC50 (binding) | = 46 nM | BindingDB_Patents: Inhitbition Assay. 48.5 .mu.L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=.epsilon.-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of 96-hole half-area plate (a black plate: Costar), and after addition of 0.5 .mu.l of the test compound (dissolved in N,N'-dimethyl formaldehyde) and 1 .mu.l of Recombinant human BACE1(R&D Systems), the reaction mixture was incubated at 30.degree. C. for 3 hours. The substrate peptide was synthesized by reacting Cryptate TBPCOOH mono SMP (CIS bio international) with Biotin-XSEVNLDAEFRHDSGC (Peptide Institute, Inc.). The final concentrations of the substrate peptide and Recombinant human BACE1 were adjusted to 18 nmol/L and 7.4 nmol/L, respectively, and the reaction was performed in sodium acetate buffer (50 mmol/L sodium acetate, pH 5.0, 0.008% Triton X-100).After the incubation for reaction, 50 .mu.l of 8.0 .mu.g/ml Streptavidin-XL665 (CIS bio international) dissolved in phosphate buffer. | ChEMBL. | No reference |
IC50 (binding) | = 0.009 uM | Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLISA technique | ChEMBL. | 23590342 |
IC50 (binding) | = 0.054 uM | Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric analysis | ChEMBL. | 23590342 |
Inhibition (binding) | = 85 % | Inhibition of human ERG channel at 10 uM | ChEMBL. | 23590342 |
Ratio IC50 (binding) | = 6 | Selectivity ratio of IC50 for human BACE1 to IC50 for BACE1 in HEK293 cells | ChEMBL. | 23590342 |
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.