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 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]
