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Assay Detail

CHEMBL1787314

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

Binding
Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrate addition measured after 0.75 hrs by beta scintillation counting
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Tissue Liver
Subcellular Microsome
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

3-hydroxy-3-methylglutaryl-coenzyme A reductase (CHEMBL3247)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
Pfefferkorn JA, Litchfield J, Hutchings R, Cheng XM, Larsen SD, Auerbach B, Bush MR, Lee C, Erasga N, Bowles DM, Boyles DC, Lu G, Sekerke C, Askew V, Hanselman JC, Dillon L, Lin Z, Robertson A, Olsen K, Boustany C, Atkinson K, Goosen TC, Sahasrabudhe V, Chupka J, Duignan DB, Feng B, Scialis R, Kimoto E, Bi YA, Lai Y, El-Kattan A, Bakker-Arkema R, Barclay P, Kindt E, Le V, Mandema JW, Milad M, Tait BD, Kennedy R, Trivedi BK, Kowala M.
Bioorg Med Chem Lett (2011) 21 : 2725 -2731
PubMed 21183342 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 8.39 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL251188 1 9.00
CHEMBL1782561 1 8.92
CHEMBL1782560 1 8.92
CHEMBL1782559 1 8.92
CHEMBL1782556 1 8.92
CHEMBL1782555 1 8.92
CHEMBL1782551 1 8.85
CHEMBL1782062 1 8.82
CHEMBL1782552 1 8.77
CHEMBL1496 ROSUVASTATIN 4.0 1 8.51
CHEMBL1782558 1 8.47
CHEMBL1782563 1 8.43
CHEMBL1782562 1 8.39
CHEMBL1782554 1 8.31
CHEMBL1782565 1 8.31
CHEMBL1782557 1 8.15
CHEMBL1782553 1 8.14
CHEMBL1782564 1 8.14
CHEMBL1782550 1 8.10
CHEMBL1782549 1 7.58
CHEMBL1782548 1 7.03
CHEMBL1782547 1 6.91

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL251188 IC50 = 1.0 nM 9.00
CHEMBL1782561 IC50 = 1.2 nM 8.92
CHEMBL1782560 IC50 = 1.2 nM 8.92
CHEMBL1782559 IC50 = 1.2 nM 8.92
CHEMBL1782556 IC50 = 1.2 nM 8.92
CHEMBL1782555 IC50 = 1.2 nM 8.92
CHEMBL1782551 IC50 = 1.4 nM 8.85
CHEMBL1782062 IC50 = 1.5 nM 8.82
CHEMBL1782552 IC50 = 1.7 nM 8.77
CHEMBL1496 ROSUVASTATIN IC50 = 3.1 nM 8.51
CHEMBL1782558 IC50 = 3.4 nM 8.47
CHEMBL1782563 IC50 = 3.7 nM 8.43
CHEMBL1782562 IC50 = 4.1 nM 8.39
CHEMBL1782554 IC50 = 4.9 nM 8.31
CHEMBL1782565 IC50 = 4.9 nM 8.31
CHEMBL1782557 IC50 = 7.0 nM 8.15
CHEMBL1782553 IC50 = 7.2 nM 8.14
CHEMBL1782564 IC50 = 7.2 nM 8.14
CHEMBL1782550 IC50 = 7.9 nM 8.10
CHEMBL1782549 IC50 = 26.0 nM 7.58
CHEMBL1782548 IC50 = 94.0 nM 7.03
CHEMBL1782547 IC50 = 123.0 nM 6.91