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Assay Detail

CHEMBL970539

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from human recombinant NPC1L1 expressed in HEK293 cells
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

NPC1-like intracellular cholesterol transporter 1 (CHEMBL2027)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening.
McMasters DR, Garcia-Calvo M, Maiorov V, McCann ME, Meurer RD, Bull HG, Lisnock J, Howell KL, Devita RJ.
Bioorg Med Chem Lett (2009) 19 : 2965 -2968
PubMed 19410454 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 5.69 8.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL504066 1 8.15
CHEMBL321017 1 6.52
CHEMBL466245 1 6.41
CHEMBL466849 1 6.18
CHEMBL468523 1 5.60
CHEMBL513310 1 5.36
CHEMBL468522 1 5.34
CHEMBL506754 1 5.13
CHEMBL506719 1 4.10
CHEMBL466440 1 4.09

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL504066 IC50 = 7.0 nM 8.15
CHEMBL321017 IC50 = 300.0 nM 6.52
CHEMBL466245 IC50 = 390.0 nM 6.41
CHEMBL466849 IC50 = 660.0 nM 6.18
CHEMBL468523 IC50 = 2500.0 nM 5.60
CHEMBL513310 IC50 = 4400.0 nM 5.36
CHEMBL468522 IC50 = 4600.0 nM 5.34
CHEMBL506754 IC50 = 7400.0 nM 5.13
CHEMBL506719 IC50 = 79000.0 nM 4.10
CHEMBL466440 IC50 = 81000.0 nM 4.09