atorvastatin lactone [Ligand Id: 2957] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL333687 (Atorvastatin Lactone)
  • ABCC2/Canalicular multispecific organic anion transporter 1 in Human [ChEMBL: CHEMBL5748] [GtoPdb: 780] [UniProtKB: Q92887]
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  • hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Rat [ChEMBL: CHEMBL3247] [GtoPdb: 639] [UniProtKB: P51639]
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  • OATP1B1/Solute carrier organic anion transporter family member 1B1 in Human [ChEMBL: CHEMBL1697668] [GtoPdb: 1220] [UniProtKB: Q9Y6L6]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ABCC2/Canalicular multispecific organic anion transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5748] [GtoPdb: 780] [UniProtKB: Q92887]
ChEMBL TP_TRANSPORTER: inhibition of calcein-AM efflux in MRP2-expressing MDCK cells F 4.82 pIC50 15000 nM IC50 Drug Metab Dispos (2005) 33: 537-546 [PMID:15616150]
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3247] [GtoPdb: 639] [UniProtKB: P51639]
ChEMBL Inhibition of HMG-CoA reductase activity in partially purified rat liver B 6.36 pIC50 440 nM IC50 J Med Chem (1991) 34: 357-366 [PMID:1992137]
ChEMBL Inhibition of HMG-CoA reductase activity in partially purified rat liver B 7.6 pIC50 25 nM IC50 J Med Chem (1991) 34: 357-366 [PMID:1992137]
ChEMBL Inhibition of HMG-CoA reductase activity in partially purified rat liver B 8.15 pIC50 7 nM IC50 J Med Chem (1991) 34: 357-366 [PMID:1992137]
GtoPdb Inhibition of HMG-CoA reductase - 8.16 pIC50 6.99 nM IC50 J Med Chem (1991) 34: 357-66 [PMID:1992137]
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 8.52 pIC50 3 nM IC50 US-9006282-B2. Rosuvastatin and atorvastatin derivatives (2015)
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL TP_TRANSPORTER: inhibition of calcein-AM efflux in MDR1-expressing MDCK cells F 4.85 pIC50 14000 nM IC50 Drug Metab Dispos (2005) 33: 537-546 [PMID:15616150]
OATP1B1/Solute carrier organic anion transporter family member 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697668] [GtoPdb: 1220] [UniProtKB: Q9Y6L6]
ChEMBL TP_TRANSPORTER: inhibition of estradiol-17beta-glucuronide uptake(estradiol-17beta-glucuronide:0.02uM) in OATP1B1-expressing HEK293 cells F 5.59 pIC50 2600 nM IC50 Drug Metab Dispos (2005) 33: 537-546 [PMID:15616150]

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]