sacubitrilat [Ligand Id: 7858] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL417007 (Lbq-657, LBQ657, Sacubitrilat)
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  • Neutral endopeptidase/Angiotensin-converting enzyme/Neprilysin/Angiotensin-converting enzyme in Human [ChEMBL: CHEMBL6066554] [GtoPdb: 1611, 1613] [UniProtKB: P08473, P12821]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Angiotensin-converting enzyme in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1808] [GtoPdb: 1613] [UniProtKB: P12821]
ChEMBL Inhibition of human ACE using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysis B 4 pIC50 >100000 nM IC50 J Med Chem (2020) 63: 5488-5500 [PMID:32337993]
Neutral endopeptidase/Neprilysin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1944] [GtoPdb: 1611] [UniProtKB: P08473]
ChEMBL Inhibition of human NEP using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysis B 7.7 pIC50 20 nM IC50 J Med Chem (2020) 63: 5488-5500 [PMID:32337993]
GtoPdb - - 8.14 pIC50 7.3 nM IC50 Inhibition of the renin - angiotensin system – present and future challenges.. Heart Failure Update 2014
ChEMBL Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured after 1 hr by fluorescence based assay B 8.22 pIC50 6 nM IC50 ACS Med Chem Lett (2020) 11: 188-194 [PMID:32071687]
Neutral endopeptidase/Neprilysin in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3369] [GtoPdb: 1611] [UniProtKB: P07861]
ChEMBL In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate B 8.3 pIC50 5 nM IC50 J Med Chem (1995) 38: 1689-1700 [PMID:7752193]
Neutral endopeptidase/Angiotensin-converting enzyme/Neprilysin/Angiotensin-converting enzyme in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL6066554] [GtoPdb: 1611, 1613] [UniProtKB: P08473, P12821]
ChEMBL Enzyme Inhibition Assay: The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 μM ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 μM ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 μM of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 μM to 20 pM. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v). B 8.2 pKi 6.31 nM Ki US-11547687-B2. Neprilysin inhibitors (2023)
GtoPdb - - 8.14 pIC50 7.3 nM IC50 Inhibition of the renin - angiotensin system – present and future challenges.. Heart Failure Update 2014

ChEMBL data shown on this page come from version 36:

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]