sitokiren [Ligand Id: 12196] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4110551 (Sph-3127, Sph3127, SPH-3127, SPH3127)
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
renin/Renin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL286] [GtoPdb: 2413] [UniProtKB: P00797]
ChEMBL Displacement of 125I-labeled angiotensin I from from human plasma renin by gamma counter based competitive radioimmunoassay B 9.35 pIC50 0.45 nM IC50 J Med Chem (2022) 65: 10882-10897 [PMID:35939295]
ChEMBL Inhibitory Assay: A substrate of synthetic peptide (Nma-KHPFHLVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotometer before staring an enzymatic reaction (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Recombinant human renin was added and the mixture was incubated at 37° C. for 1 hour, and the fluorescence intensity was measured after the reaction using a fluorophotometer (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Renin activity was evaluated on the ground of fluorescence intensity which was obtained by deduction of the intensity before the reaction from the intensity after the reaction, and 50% inhibitory concentration (IC50) was calculated from renin activities under the existence of various concentration of the test compound. B 9.4 pIC50 0.4 nM IC50 US-9278944-B2. Nitrogen-containing saturated heterocyclic compound (2016)
ChEMBL Inhibition of human recombinant renin (67 to 406 residues) expressed in HEK293 cells using Nma-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-Dnp as fluorescent quenching substrate incubated for 1 hr by FRET analysis B 9.4 pIC50 0.4 nM IC50 J Med Chem (2022) 65: 10882-10897 [PMID:35939295]
GtoPdb Inhibition of recombinant human renin in vitro - 9.4 pIC50 0.4 nM IC50 J Med Chem (2022) 65: 10882-10897 [PMID:35939295]

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]