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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] |
GtoPdb | Inhibition of HMG-CoA reductase | - | 9.05 | pIC50 | 0.9 | nM | IC50 | J Med Chem (1986) 29: 849-52 [PMID:3634830] |
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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]