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Assay Detail

CHEMBL4414023

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

Binding
Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincubated for 30 to 60 mins followed by substrate addition and measured after 30 mins bpV-based fluorescence assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Tyrosine-protein phosphatase non-receptor type 11 (CHEMBL3864)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
Sarver P, Acker M, Bagdanoff JT, Chen Z, Chen YN, Chan H, Firestone B, Fodor M, Fortanet J, Hao H, Hentemann M, Kato M, Koenig R, LaBonte LR, Liu G, Liu S, Liu C, McNeill E, Mohseni M, Sendzik M, Stams T, Spence S, Tamez V, Tichkule R, Towler C, Wang H, Wang P, Williams SL, Yu B, LaMarche MJ.
J Med Chem (2019) 62 : 1793 -1802
PubMed 30688459 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 7.19 8.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4546378 1 8.30
CHEMBL4533113 1 7.92
CHEMBL4578698 1 7.85
CHEMBL4537504 1 7.75
CHEMBL4581388 1 7.66
CHEMBL4476848 1 7.64
CHEMBL4531137 1 7.58
CHEMBL4447768 1 7.51
CHEMBL4442335 1 7.32
CHEMBL4469071 1 7.17
CHEMBL4060033 1 7.15
CHEMBL4440701 1 6.98
CHEMBL4468062 1 6.75
CHEMBL4523033 1 6.74
CHEMBL4546245 1 6.37
CHEMBL4514244 1 4.34

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4546378 IC50 = 5.0 nM 8.30
CHEMBL4533113 IC50 = 12.0 nM 7.92
CHEMBL4578698 IC50 = 14.0 nM 7.85
CHEMBL4537504 IC50 = 18.0 nM 7.75
CHEMBL4581388 IC50 = 22.0 nM 7.66
CHEMBL4476848 IC50 = 23.0 nM 7.64
CHEMBL4531137 IC50 = 26.0 nM 7.58
CHEMBL4447768 IC50 = 31.0 nM 7.51
CHEMBL4442335 IC50 = 48.0 nM 7.32
CHEMBL4469071 IC50 = 67.0 nM 7.17
CHEMBL4060033 IC50 = 71.0 nM 7.15
CHEMBL4440701 IC50 = 105.0 nM 6.98
CHEMBL4468062 IC50 = 177.0 nM 6.75
CHEMBL4523033 IC50 = 181.0 nM 6.74
CHEMBL4546245 IC50 = 429.0 nM 6.37
CHEMBL4514244 IC50 = 46000.0 nM 4.34