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 |
|---|---|---|---|---|---|---|---|---|
| Beta amyloid 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
