umibecestat [Ligand Id: 12747] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3670375 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
| ChEMBL | Inhibition of wild type human APP751 expressed in CHO cells assessed as reduction in amyloid beta40 level | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition of wild type APP751 (unknown origin) expressed in CHO cells | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition of wild type human APP751 expressed in CHO cells assessed as reduction in amyloid beta42 level | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition of wild type human APP751 expressed in CHO cells assessed as reduction in amyloid beta(1 to 40 residues) level | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| ChEMBL | Inhibition of human BACE1 by FRET assay | B | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 761-777 [PMID:30709653] |
| ChEMBL | Inhibition of human recombinant BACE1 catalytic domain using FRET substrate with BACE-cleavable sequence | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition of human BACE1 | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| GtoPdb | - | - | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition Assay: Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 μM, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-1 activity as a function of the test compound concentration. | B | 8.15 | pIC50 | 7 | nM | IC50 | US-8637508-B2. Heterocyclic derivatives and their use in the treatment of neurological disorders (2014) |
| Beta-secretase 1 in Cricetulus griseus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3297642] [UniProtKB: G3IAK4] | ||||||||
| ChEMBL | Inhibition of BACE1 in CHO cells expressing human APP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 24 hrs by immunoassay method | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 761-777 [PMID:30709653] |
| beta-secretase 2/Beta secretase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2525] [GtoPdb: 2331] [UniProtKB: Q9Y5Z0] | ||||||||
| GtoPdb | - | - | 7.52 | pIC50 | 30 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition Assay: Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 μM, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-2 activity as a function of the test compound concentration. | B | 7.52 | pIC50 | 30 | nM | IC50 | US-8637508-B2. Heterocyclic derivatives and their use in the treatment of neurological disorders (2014) |
| ChEMBL | Inhibition of human recombinant BACE2 catalytic domain using FRET substrate with BACE-cleavable sequence | B | 7.52 | pIC50 | 30 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition of human BACE2 | B | 7.52 | pIC50 | 30 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| cathepsin E/Cathepsin E in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3092] [GtoPdb: 2346] [UniProtKB: P14091] | ||||||||
| ChEMBL | Inhibition of human Cathepsin E using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrate | B | 4.18 | pIC50 | 66400 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Inhibition of human cathepsin E | B | 4.18 | pIC50 | 66400 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG by manual patch clamp assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
| ChEMBL | Binding affinity to human ERG | B | 5.49 | pIC50 | 3200 | nM | IC50 | J Med Chem (2021) 64: 15262-15279 [PMID:34648711] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
