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ChEMBL ligand: CHEMBL1064 (C10AA01, Flolipid, Lacersa, MK-0733, MK-733, NSC-758706, Ranzolont, Simvador, Simvastatin, Simvastatin hydroxy acid, Synvinolin, Zocor, Zocor heart-pro) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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3-hydroxy-3-methylglutaryl-coenzyme A reductase in Schizosaccharomyces pombe 972h- (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163121] [UniProtKB: Q10283] | ||||||||
ChEMBL | Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry | B | 4.02 | pIC50 | 95200 | nM | IC50 | Bioorg Med Chem (2010) 18: 4238-4248 [PMID:20576575] |
Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275] | ||||||||
ChEMBL | Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method | B | 5.74 | pKi | 1800 | nM | Ki | Med Chem Res (2005) 14: 297-308 |
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 | 4.6 | pIC50 | 25000 | nM | IC50 | Drug Metab Dispos (2005) 33: 537-546 [PMID:15616150] |
Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
ChEMBL | Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method | B | 5.3 | pKi | 5011.87 | nM | Ki | Med Chem Res (2005) 14: 297-308 |
ChEMBL | Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method | B | 6.12 | pKi | 750 | nM | Ki | Med Chem Res (2005) 14: 297-308 |
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035] | ||||||||
ChEMBL | Inhibitory constant against HMG-CoA reductase with alpha asarone | B | 4.17 | pKi | 68000 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 989-994 [PMID:15686898] |
ChEMBL | Inhibitory constant against HMG-CoA reductase | B | 8.59 | pKi | 2.6 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 989-994 [PMID:15686898] |
ChEMBL | Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically | B | 5.21 | pIC50 | 6110 | nM | IC50 | Bioorg Med Chem (2014) 22: 5871-5882 [PMID:25311563] |
ChEMBL | Inhibition of HMGCoA reductase | B | 7.31 | pIC50 | 49 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 4531-4537 [PMID:17574411] |
ChEMBL | Inhibition of HMG-CoA reductase | B | 7.31 | pIC50 | 49 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 4538-4544 [PMID:17574412] |
ChEMBL | Inhibition of human HMG-CoA reductase after 30 mins | B | 7.4 | pIC50 | 39.81 | nM | IC50 | Bioorg Med Chem (2014) 22: 5871-5882 [PMID:25311563] |
GtoPdb | In vitro inhibition of HMG-CoA reductase | - | 7.92 | pIC50 | 12.1 | nM | IC50 | J Med Chem (1992) 35: 3813-21 [PMID:1433193] |
ChEMBL | Inhibitory concentration against HMG-CoA reductase | B | 7.95 | pIC50 | 11.2 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 989-994 [PMID:15686898] |
ChEMBL | Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase | B | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 1027-1032 [PMID:15686906] |
GtoPdb | - | - | 7.96 | pIC50 | 11 | nM | IC50 | Science (2001) 292: 1160-4 [PMID:11349148] |
ChEMBL | DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) | B | 8.47 | pIC50 | 3.39 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPH | B | 9.05 | pIC50 | 0.9 | nM | IC50 | J Med Chem (2018) 61: 2166-2210 [PMID:28850227] |
hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3247] [GtoPdb: 639] [UniProtKB: P51639] | ||||||||
GtoPdb | In vitro inhibition of cellular cholesterol synthesis | - | 6.82 | pIC50 | 150 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 4538-44 [PMID:17574412] |
GtoPdb | In vitro inhibition of HMG-CoA reductase | - | 7.31 | pIC50 | 49 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 4538-44 [PMID:17574412] |
ChEMBL | Inhibition of rat microsomal HMG-CoA reductase assessed as inhibition of cholesterol synthesis after 30 mins | B | 7.74 | pIC50 | 18 | nM | IC50 | Bioorg Med Chem (2007) 15: 5576-5589 [PMID:17560788] |
ChEMBL | Inhibition of HMGR in rat hepatic microsomes assessed as conversion of [14C]HMG-CoA to [14C]mevalonic acid | B | 8.37 | pIC50 | 4.3 | nM | IC50 | J Med Chem (2008) 51: 2722-2733 [PMID:18412317] |
GtoPdb | in vitro inhibition of cholesterol synthesis | - | 8.56 | pIC50 | 2.74 | nM | IC50 | Am J Cardiol (2001) 87: 28B-32B [PMID:11256847] |
GtoPdb | In vitro inhibition of cellular cholesterol synthesis | - | 8.89 | pIC50 | 1.3 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 4538-44 [PMID:17574412] |
ChEMBL | Inhibition of rat liver HMG-CoA reductase pre incubated for 5 mins followed by substrate addition using NADPH as substrate by scintillation counter analysis | B | 9.05 | pIC50 | 0.9 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3283-3289 [PMID:30243589] |
GtoPdb | Inhibition of HMG-CoA reductase | - | 9.05 | pIC50 | 0.9 | nM | IC50 | J Med Chem (1986) 29: 849-52 [PMID:3634830] |
Nuclear receptor related 1/Nuclear receptor subfamily 4 group A member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5002] [GtoPdb: 630] [UniProtKB: P43354] | ||||||||
ChEMBL | Agonist activity at human Nurr1 measured by Gal4-Nurr1 hybrid reporter gene assay | B | 5.29 | pEC50 | 5100 | nM | EC50 | J Med Chem (2022) 65: 9548-9563 [PMID:35797147] |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells | F | 4.25 | pIC50 | 56800 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
ChEMBL | TP_TRANSPORTER: inhibition of Rhodamine 123 transport in 3T3-G185 cells | F | 4.34 | pIC50 | 46000 | nM | IC50 | Pharm Res (2001) 18: 800-806 [PMID:11474784] |
ChEMBL | TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | F | 4.58 | pIC50 | 26100 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
ChEMBL | TP_TRANSPORTER: inhibition of calcein-AM efflux in MDR1-expressing MDCK cells | F | 5 | pIC50 | 10000 | nM | IC50 | Drug Metab Dispos (2005) 33: 537-546 [PMID:15616150] |
ChEMBL | TP_TRANSPORTER: inhibition of Daunorubicin transport in 3T3-G185 cells | F | 5.05 | pIC50 | 9000 | nM | IC50 | Pharm Res (2001) 18: 800-806 [PMID:11474784] |
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 | 5.01 | pIC50 | 9700 | 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]