example 2 [WO2013004676] [Ligand Id: 7852] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2331712 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| ChEMBL | Inhibition of BACE1 in human HEK293 cells transfected with human wild type APP695 assessed as decrease in amyloid beta 40 level after 18 to 20 hrs by cellular assay | B | 7.59 | pIC50 | 26 | nM | IC50 | ACS Med Chem Lett (2013) 4: 379-380 [PMID:24900681] |
| ChEMBL | Inhibition of BACE1 in HEK293 cells expressing APP695 assessed as inhibition of amyloid beta (1 to 40) production after 18 to 20 hrs by ELISA | B | 7.59 | pIC50 | 26 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2033-2045 [PMID:24704031] |
| GtoPdb | - | - | 7.59 | pIC50 | 26 | nM | IC50 | ACS Med Chem Lett (2013) 4: 379-80 [PMID:24900681] |
| beta-secretase 2 in Human [GtoPdb: 2331] [UniProtKB: Q9Y5Z0] | ||||||||
| GtoPdb | - | - | 8.7 | pIC50 | 2 | nM | IC50 | ACS Med Chem Lett (2013) 4: 379-80 [PMID:24900681] |
| beta-secretase 2/Beta-secretase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2331066] [GtoPdb: 2331] [UniProtKB: Q6IE75] | ||||||||
| ChEMBL | Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA | B | 8.7 | pIC50 | 2 | nM | IC50 | ACS Med Chem Lett (2013) 4: 379-380 [PMID:24900681] |
| ChEMBL | Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ELISA | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2033-2045 [PMID:24704031] |
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]
