β-secretase inhibitor IV [Ligand Id: 11713] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL378225 |
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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 self-induced aggregation amyloid beta (1 to 40) (unknown origin) incubated for 24 hrs by Thioflavin T based fluorometric assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Nat Prod (2021) 84: 1748-1754 [PMID:34100599] |
| beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| GtoPdb | - | - | 6.63 | pKi | 233 | nM | Ki | J Med Chem (2007) 50: 2399-407 [PMID:17432843] |
| ChEMBL | Inhibition of recombinant memapsin 2 | B | 6.63 | pKi | 233 | nM | Ki | J Med Chem (2007) 50: 2399-2407 [PMID:17432843] |
| ChEMBL | Inhibition of BACE1 after 2 hrs by FRET assay | B | 4.82 | pIC50 | 15000 | nM | IC50 | Bioorg Med Chem (2010) 18: 3088-3115 [PMID:20378363] |
| ChEMBL | Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site of APP by fluorescence assay | B | 6.6 | pIC50 | 250 | nM | IC50 | Eur J Med Chem (2010) 45: 2578-2590 [PMID:20303626] |
| ChEMBL | Inhibition of BACE1 by fluorescence assay | B | 6.6 | pIC50 | 250 | nM | IC50 | J Med Chem (2012) 55: 10749-10765 [PMID:23181502] |
| ChEMBL | Inhibition of BACE1 (unknown origin) using peptide substrate by time-course measurement-based fluorescence analysis | B | 6.8 | pIC50 | 160 | nM | IC50 | Bioorg Med Chem (2016) 24: 3276-3282 [PMID:27211244] |
| ChEMBL | Inhibition of memapsin 2 expressed in CHO cells | B | 7.11 | pIC50 | 78 | nM | IC50 | J Med Chem (2007) 50: 2399-2407 [PMID:17432843] |
| ChEMBL | Inhibition of recombinant human BACE1 expressed in baculovirus expression system using Rh-EVNLDAEFK-quencher as substrate incubated for 60 mins by FRET assay | B | 7.34 | pIC50 | 46 | nM | IC50 | Eur J Med Chem (2021) 218: 113397-113397 [PMID:33838585] |
| ChEMBL | Inhibition of recombinant human BACE1 expressed in baculovirus expression system using Rh-EVNLDAEFK-quencher as substrate after 60 mins by spectrofluorometric method | B | 7.34 | pIC50 | 46 | nM | IC50 | Eur J Med Chem (2017) 125: 676-695 [PMID:27721153] |
| ChEMBL | Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate measured after 60 mins by FRET based spectrofluorometric assay | B | 7.34 | pIC50 | 46 | nM | IC50 | Eur J Med Chem (2020) 187: 111916-111916 [PMID:31812794] |
| ChEMBL | Inhibition of recombinant human BACE1 expressed in CHO cells co-transfected with human APP with Swedish mutation assessed as amyloid beta1-40 secretion by alphaLISA technique | B | 7.35 | pIC50 | 45 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636] |
| ChEMBL | Inhibition of BACE1 expressed in human 293T cells | B | 7.54 | pIC50 | 29 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 264-274 [PMID:19013792] |
| ChEMBL | Inhibition of human BACE1 in HEK293T cells transfected with APP695 after 20 to 24 hrs by Western blot analysis | B | 7.54 | pIC50 | 29 | nM | IC50 | Eur J Med Chem (2010) 45: 2578-2590 [PMID:20303626] |
| ChEMBL | Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site by sAPP_NF cell based assay | B | 7.54 | pIC50 | 29 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636] |
| ChEMBL | Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs by HTRF assay | B | 7.59 | pIC50 | 25.9 | nM | IC50 | J Med Chem (2018) 61: 5525-5546 [PMID:29775538] |
| ChEMBL | Inhibition of BACE1 (unknown origin) after 90 mins by fluorescence assay | B | 7.6 | pIC50 | 25.4 | nM | IC50 | Bioorg Med Chem (2015) 23: 1963-1974 [PMID:25842365] |
| ChEMBL | Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21(DE3) using Biotin-epsilon-amino-n-capronic acid-SEVNLDAEFRHDSGC-Eu after 3 hrs by HTRF assay | B | 7.65 | pIC50 | 22.6 | nM | IC50 | J Med Chem (2018) 61: 5525-5546 [PMID:29775538] |
| ChEMBL | Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated with enzyme for 1 hr by FRET assay | B | 7.7 | pIC50 | 20 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2804-2808 [PMID:26003339] |
| ChEMBL | Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay | B | 7.7 | pIC50 | 19.9 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636] |
| ChEMBL | Inhibition of BACE1 (unknown origin) using Rh-EVNNLDAEFK fluorogenic peptide as substrate incubated for 3 hrs by FRET assay | B | 7.82 | pIC50 | 15 | nM | IC50 | J Nat Prod (2021) 84: 1748-1754 [PMID:34100599] |
| ChEMBL | Inhibition of human recombinant BACE1 by FRET assay | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1643-1647 [PMID:18261904] |
| ChEMBL | Inhibition of BACE1 | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 264-274 [PMID:19013792] |
| ChEMBL | Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay | B | 7.82 | pIC50 | 15 | nM | IC50 | J Nat Prod (2010) 73: 1188-1191 [PMID:20503979] |
| ChEMBL | Inhibition of human BACE1 preincubated for 30 min measured after 30 mins | B | 7.82 | pIC50 | 15 | nM | IC50 | Eur J Med Chem (2010) 45: 2578-2590 [PMID:20303626] |
| ChEMBL | Inhibition of BACE1 by cell-free FRET assay | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 3992-3996 [PMID:21621412] |
| ChEMBL | Inhibition of recombinant human BACE1 proteolytic activity | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636] |
| ChEMBL | Inhibition of BACE1 | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636] |
| ChEMBL | Inhibition of BACE1 (unknown origin) using Rh-EVNNLDAEFK-Quencher substrate incubated for 3 hrs by FRET assay | B | 7.82 | pIC50 | 15 | nM | IC50 | J Nat Prod (2019) 82: 1797-1801 [PMID:31244141] |
| ChEMBL | Inhibition of BACE1 using methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl as substrate preincubated 1 hr before substrate addition measured after 15 mins by FRET assay | B | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2012) 48: 206-213 [PMID:22209418] |
| ChEMBL | Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site assessed as amyloid EV40 secretion | B | 7.37 | pEC50 | 43 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 1408-1414 [PMID:22225636] |
| beta-secretase 2/Beta secretase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2525] [GtoPdb: 2331] [UniProtKB: Q9Y5Z0] | ||||||||
| ChEMBL | Inhibition of recombinant memapsin 1 | B | 6.62 | pKi | 240 | nM | Ki | J Med Chem (2007) 50: 2399-2407 [PMID:17432843] |
| GtoPdb | - | - | 6.62 | pKi | 240 | nM | Ki | J Med Chem (2007) 50: 2399-407 [PMID:17432843] |
| ChEMBL | Inhibition of BACE2 expressed in human 293T cells | B | 6.88 | pIC50 | 132 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 264-274 [PMID:19013792] |
| cathepsin D/Cathepsin D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2581] [GtoPdb: 2345] [UniProtKB: P07339] | ||||||||
| ChEMBL | Inhibition of human cathepsin D | B | 6.35 | pKi | 448 | nM | Ki | J Med Chem (2007) 50: 2399-2407 [PMID:17432843] |
| GtoPdb | - | - | 6.35 | pKi | 448 | nM | Ki | J Med Chem (2007) 50: 2399-407 [PMID:17432843] |
| ChEMBL | Inhibition of human cathepsin D | B | 5.12 | pIC50 | 7620 | nM | IC50 | Bioorg Med Chem (2013) 21: 6665-6673 [PMID:23993670] |
| Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
| ChEMBL | Inhibition of horse serum BuChE using acetylthiocholine as substrate by UV-visible spectrophotometric Ellman's method | B | 7.84 | pIC50 | 14.6 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 2910-2913 [PMID:30017317] |
| renin/Renin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL286] [GtoPdb: 2413] [UniProtKB: P00797] | ||||||||
| ChEMBL | Inhibition of human renin | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem (2013) 21: 6665-6673 [PMID:23993670] |
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]
