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Assay Detail

CHEMBL5525869

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Binding
Binding affinity to human Avi/10-his tagged GCase (40 to 536 residues) expressed baculovirus expression system in Sf9 cells in assessed as dissociation constant by isothermal titration calorimetry analysis
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf9
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Lysosomal acid glucosylceramidase (CHEMBL2179)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of β-Glucocerebrosidase.
Palmer N, Agnew C, Benn C, Buffham WJ, Castro JN, Chessari G, Clark M, Cons BD, Coyle JE, Dawson LA, Hamlett CCF, Hodson C, Holding F, Johnson CN, Liebeschuetz JW, Mahajan P, McCarthy JM, Murray CW, O'Reilly M, Peakman T, Price A, Rapti M, Reeks J, Schöpf P, St-Denis JD, Valenzano C, Wallis NG, Walser R, Weir H, Wilsher NE, Woodhead A, Bento CF, Tisi D.
J Med Chem (2024) 67 : 11168 -11181
PubMed 38932616 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 17 6.11 7.75

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5560927 1 7.75
CHEMBL5567650 1 7.72
CHEMBL5562071 1 7.30
CHEMBL5562221 1 6.75
CHEMBL5563159 1 6.66
CHEMBL5567786 1 6.60
CHEMBL5565566 1 6.52
CHEMBL5560175 1 6.51
CHEMBL5563549 1 6.00
CHEMBL5555937 1 5.96
CHEMBL5559958 1 5.52
CHEMBL5560911 1 5.16
CHEMBL144129 1 4.72
CHEMBL558 MEXILETINE 4.0 1 4.43
CHEMBL5555347 1 4.00
CHEMBL5564772 1 -
CHEMBL5561451 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5560927 Kd = 18.0 nM 7.75
CHEMBL5567650 Kd = 19.0 nM 7.72
CHEMBL5562071 Kd = 50.0 nM 7.30
CHEMBL5562221 Kd = 180.0 nM 6.75
CHEMBL5563159 Kd = 220.0 nM 6.66
CHEMBL5567786 Kd = 250.0 nM 6.60
CHEMBL5565566 Kd = 300.0 nM 6.52
CHEMBL5560175 Kd = 310.0 nM 6.51
CHEMBL5563549 Kd = 1000.0 nM 6.00
CHEMBL5555937 Kd = 1100.0 nM 5.96
CHEMBL5559958 Kd = 3000.0 nM 5.52
CHEMBL5560911 Kd = 7000.0 nM 5.16
CHEMBL144129 Kd = 19000.0 nM 4.72
CHEMBL558 MEXILETINE Kd = 37000.0 nM 4.43
CHEMBL5555347 Kd = 100000.0 nM 4.00
CHEMBL5564772 Kd = 180000.0 nM -
CHEMBL5561451 Kd = 410000.0 nM -