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Assay Detail

CHEMBL4183128

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

ADMET
Inhibition of human BACE2 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assay
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Beta-secretase 2 (CHEMBL2525)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design and Synthesis of Clinical Candidate PF-06751979: A Potent, Brain Penetrant, β-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor Lacking Hypopigmentation.
O'Neill BT, Beck EM, Butler CR, Nolan CE, Gonzales C, Zhang L, Doran SD, Lapham K, Buzon LM, Dutra JK, Barreiro G, Hou X, Martinez-Alsina LA, Rogers BN, Villalobos A, Murray JC, Ogilvie K, LaChapelle EA, Chang C, Lanyon LF, Steppan CM, Robshaw A, Hales K, Boucher GG, Pandher K, Houle C, Ambroise CW, Karanian D, Riddell D, Bales KR, Brodney MA.
J Med Chem (2018) 61 : 4476 -4504
PubMed 29613789 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 7.04 8.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4215837 1 8.41
CHEMBL3672916 1 8.35
CHEMBL3967984 1 7.67
CHEMBL3983988 1 7.41
CHEMBL4205912 1 7.37
CHEMBL4211913 1 7.22
CHEMBL3972449 1 7.15
CHEMBL3979124 1 6.63
CHEMBL3952064 1 6.62
CHEMBL3917530 1 6.47
CHEMBL4204163 1 6.43
CHEMBL3947194 1 5.97
CHEMBL3941301 1 5.77

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4215837 IC50 = 3.9 nM 8.41
CHEMBL3672916 IC50 = 4.5 nM 8.35
CHEMBL3967984 IC50 = 21.6 nM 7.67
CHEMBL3983988 IC50 = 38.9 nM 7.41
CHEMBL4205912 IC50 = 42.9 nM 7.37
CHEMBL4211913 IC50 = 60.7 nM 7.22
CHEMBL3972449 IC50 = 70.5 nM 7.15
CHEMBL3979124 IC50 = 233.0 nM 6.63
CHEMBL3952064 IC50 = 238.0 nM 6.62
CHEMBL3917530 IC50 = 338.0 nM 6.47
CHEMBL4204163 IC50 = 367.0 nM 6.43
CHEMBL3947194 IC50 = 1072.0 nM 5.97
CHEMBL3941301 IC50 = 1709.0 nM 5.77