compound J [PMID: 21907142] [Ligand Id: 7854] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2347211
  • beta-secretase 1/Beta-secretase 1 in Human [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
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  • beta-secretase 2/Beta secretase 2 in Human [ChEMBL: CHEMBL2525] [GtoPdb: 2331] [UniProtKB: Q9Y5Z0]
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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]
GtoPdb - - 7.74 pIC50 18 nM IC50 Cell Metab (2011) 14: 365-77 [PMID:21907142]
ChEMBL Inhibition of recombinant human BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by fluorescence assay B 7.74 pIC50 18 nM IC50 Bioorg Med Chem Lett (2014) 24: 2033-2045 [PMID:24704031]
ChEMBL Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric analysis B 7.8 pIC50 16 nM IC50 J Med Chem (2013) 56: 3980-3995 [PMID:23590342]
ChEMBL Inhibition of BACE1 (unknown origin) B 8.17 pIC50 6.7 nM IC50 J Med Chem (2018) 61: 5122-5137 [PMID:29733614]
ChEMBL Inhibition of BACE1 (1 to 454 residues) (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assay B 8.34 pIC50 4.6 nM IC50 J Med Chem (2019) 62: 5080-5095 [PMID:31021626]
ChEMBL 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 B 9 pIC50 1 nM IC50 J Med Chem (2013) 56: 3980-3995 [PMID:23590342]
ChEMBL Inhibition of BACE1 in human SKNBE2 cells expressing APP695 assessed as reduction in Abeta42 level measured after 18 hrs by sandwich ELISA B 9.03 pIC50 0.93 nM IC50 J Med Chem (2019) 62: 5080-5095 [PMID:31021626]
ChEMBL Inhibition of BACE1 (unknown origin) assessed as reduction in amyloid beta production by cell based assay B 9.08 pIC50 0.84 nM IC50 J Med Chem (2018) 61: 5122-5137 [PMID:29733614]
beta-secretase 2/Beta secretase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2525] [GtoPdb: 2331] [UniProtKB: Q9Y5Z0]
ChEMBL Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric analysis B 8.05 pIC50 9 nM IC50 J Med Chem (2013) 56: 3980-3995 [PMID:23590342]
GtoPdb - - 8.22 pIC50 6 nM IC50 Cell Metab (2011) 14: 365-77 [PMID:21907142]

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]