rosuvastatin [Ligand Id: 2954] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1496 (Rosuvastatin, ZD-4522, ZD4522)
  • hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035]
  • hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Rat [ChEMBL: CHEMBL3247] [GtoPdb: 639] [UniProtKB: P51639]
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  • phosphodiesterase 6D/Phosphodiesterase 6D in Human [ChEMBL: CHEMBL3860] [GtoPdb: 1315] [UniProtKB: O43924]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035]
ChEMBL Binding affinity to HMG-CoA reductase by isothermal calorimetry B 7.77 pKd 17 nM Kd J. Med. Chem. (2008) 51: 3804-3813 [PMID:18540668]
ChEMBL Inhibitory constant against HMG-CoA reductase with alpha asarone B 4.15 pKi 71000 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 989-994 [PMID:15686898]
GtoPdb - - 8.64 pKi 2.3 nM Ki Biochemistry (2005) 44: 11741-8 [PMID:16128575]
ChEMBL Inhibitory constant against HMG-CoA reductase B 9.05 pKi 0.9 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 989-994 [PMID:15686898]
ChEMBL Inhibitory concentration against HMG-CoA reductase B 8.27 pIC50 5.4 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 989-994 [PMID:15686898]
GtoPdb in vitro inhibition of cholesterol synthesis - 8.27 pIC50 5.4 nM IC50 Am J Cardiol (2001) 87: 28B-32B [PMID:11256847]
GtoPdb - - 8.3 pIC50 5 nM IC50 Science (2001) 292: 1160-4 [PMID:11349148]
ChEMBL Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase B 8.3 pIC50 5 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 1027-1032 [PMID:15686906]
ChEMBL Reductase Assay : The following procedure was followed using a HMG-CoA Reductase assay kit obtained from Sigma-Aldrich (catalogue number CS1090). The assay is based on the spectrophotometric measurement of the decrease in absorbance at 340 nm of NADPH in solution. A decrease in absorbance is caused by the oxidation of NADPH by the catalytic subunit of HMGR in the presence of the substrate HMG-CoA. Effective inhibition of the HMG-CoA leads to a reduction in oxidation of NADPH which in turn leads to a smaller reduction in the absorbance at 340 nm over time. B 8.4 pIC50 4 nM IC50 US-9102656-B2. Use of rosuvastatin lactols as medicaments (2015)
ChEMBL Inhibition of HMG-CoA reductase B 8.51 pIC50 3.1 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 4538-4544 [PMID:17574412]
GtoPdb Inhibition of HMG-CoA reductase - 8.51 pIC50 3.1 nM IC50 Bioorg Med Chem Lett (2007) 17: 4538-44 [PMID:17574412]
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3247] [GtoPdb: 639] [UniProtKB: P51639]
ChEMBL Reductase Assay: All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADPH and HMG-CoA were both 200 μM. The enzyme concentration used is unknown although this concentration is 10-fold lower than that of the stock solution purchased. Inhibitors were dissolved in 75% DMSO. Where inhibitors were found to be insoluble or only partly soluble in 75% DMSO, 100% DMSO was used. Reactions were activated by the addition of enzyme and agitated for 12 seconds following the addition. Absorbance readings were then taken every 20 seconds for 600 seconds. In initial tests the concentration of each inhibitor was set at 50 nM to identify which compounds were the better inhibitors, compared to the known Pravastatin inhibitor. B 8.4 pIC50 4 nM IC50 US-9006282-B2. Rosuvastatin and atorvastatin derivatives (2015)
ChEMBL Inhibition of rat microsomal HMGCoA reductase B 8.43 pIC50 3.7 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 1151-1156 [PMID:18155906]
ChEMBL Inhibition of rat microsomal HMG-CoA reductase assessed as inhibition of cholesterol synthesis after 30 mins B 8.44 pIC50 3.6 nM IC50 Bioorg. Med. Chem. (2007) 15: 5576-5589 [PMID:17560788]
ChEMBL Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes B 8.51 pIC50 3.1 nM IC50 J. Med. Chem. (2008) 51: 31-45 [PMID:18072721]
ChEMBL Inhibition of HMGR in rat hepatic microsomes assessed as conversion of [14C]HMG-CoA to [14C]mevalonic acid B 8.51 pIC50 3.1 nM IC50 J. Med. Chem. (2008) 51: 2722-2733 [PMID:18412317]
ChEMBL Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrate addition measured after 0.75 hrs by beta scintillation counting B 8.51 pIC50 3.1 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 2725-2731 [PMID:21183342]
ChEMBL Inhibition of HMG-CoA reductase in rat liver microsomes B 8.68 pIC50 2.1 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 5567-5572 [PMID:17764936]
GtoPdb Inhibition of cholesterol systhesis - 9.8 pIC50 0.16 nM IC50 Am J Cardiol (2001) 87: 28B-32B [PMID:11256847]
phosphodiesterase 6D/Phosphodiesterase 6D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3860] [GtoPdb: 1315] [UniProtKB: O43924]
ChEMBL Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay B 5.9 pKd 1250 nM Kd J. Med. Chem. (2014) 57: 5435-5448 [PMID:24884780]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as Plasmodium lactate dehydrogenase release after 48 hrs by colorimetry F 4.1 pIC50 80000 nM IC50 Antimicrob. Agents Chemother. (2009) 53: 2212-2214 [PMID:19258270]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 assessed as Plasmodium lactate dehydrogenase release after 48 hrs by colorimetry F 4.1 pIC50 80000 nM IC50 Antimicrob. Agents Chemother. (2009) 53: 2212-2214 [PMID:19258270]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum E8B assessed as Plasmodium lactate dehydrogenase release after 48 hrs by colorimetry F 4.1 pIC50 80000 nM IC50 Antimicrob. Agents Chemother. (2009) 53: 2212-2214 [PMID:19258270]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]