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 |
|---|---|---|---|---|---|---|---|---|
| Beta amyloid 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 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]
