ezetimibe [Ligand Id: 6816] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1138 (Ezetimiba, Ezetimibe, Ezetrol, MK0653, NSC-758923, SCH-58235, SCH58235, Zetia)
  • Sodium/bile acid and sulphated solute cotransporter 1/Bile acid transporter in Human [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973]
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  • NPC1 like intracellular cholesterol transporter 1/Niemann-Pick C1-like protein 1 in Human [ChEMBL: CHEMBL2027] [GtoPdb: 2629] [UniProtKB: Q9UHC9]
  • NPC1 like intracellular cholesterol transporter 1/Niemann-Pick C1-like protein 1 in Rat [ChEMBL: CHEMBL5161] [GtoPdb: 2629] [UniProtKB: Q6T3U3]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Sodium/bile acid and sulphated solute cotransporter 1/Bile acid transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973]
ChEMBL Binding affinity to NTCP (unknown origin) B 4.6 pKi 25000 nM Ki J Med Chem (2022) 65: 12546-12561 [PMID:36111355]
NPC1 like intracellular cholesterol transporter 1/Niemann-Pick C1-like protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2027] [GtoPdb: 2629] [UniProtKB: Q9UHC9]
GtoPdb Measure of ezetimibe glucuronide binding to NPC1L1 - 6.66 pKd 220 nM Kd Proc Natl Acad Sci USA (2005) 102: 8132-7 [PMID:15928087]
ChEMBL Inhibition of NPC1L1 (unknown origin) assessed as inhibition of cholesterol cellular uptake by BCA colorimetric assay B 6.43 pIC50 370 nM IC50 Eur J Med Chem (2022) 230: 114111-114111 [PMID:35063734]
NPC1 like intracellular cholesterol transporter 1/Niemann-Pick C1-like protein 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5161] [GtoPdb: 2629] [UniProtKB: Q6T3U3]
ChEMBL Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane B 6.7 pKi 200 nM Ki Bioorg Med Chem Lett (2008) 18: 546-553 [PMID:18063367]

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]