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Assay Detail

CHEMBL5165829

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

Binding
Inhibition of SHP2 (unknown origin) using DiFMUP as substrate incubated for 60 mins followed by substrate addition for 30 mins by microplate reader method
19
Total Activities
19
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

Discovery of a Novel Src Homology-2 Domain Containing Protein Tyrosine Phosphatase-2 (SHP2) and Cyclin-Dependent Kinase 4 (CDK4) Dual Inhibitor for the Treatment of Triple-Negative Breast Cancer.
Chen X, Shu C, Li W, Hou Q, Luo G, Yang K, Wu X.
J Med Chem (2022) 65 : 6729 -6747
PubMed 35447031 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 7.46 8.49

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5171286 1 8.49
CHEMBL4650521 BATOPROTAFIB 2.0 1 8.42
CHEMBL5179617 1 8.37
CHEMBL5194505 1 8.09
CHEMBL5200081 1 7.78
CHEMBL5204959 1 7.50
CHEMBL5199829 1 7.47
CHEMBL5195043 1 7.33
CHEMBL5180571 1 7.28
CHEMBL5200166 1 7.22
CHEMBL5176602 1 6.69
CHEMBL5172609 1 6.21
CHEMBL5184331 1 6.17
CHEMBL5178361 1 -
CHEMBL5179046 1 -
CHEMBL5184558 1 -
CHEMBL5196278 1 -
CHEMBL5177262 1 -
CHEMBL5205964 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5171286 IC50 = 3.2 nM 8.49
CHEMBL4650521 BATOPROTAFIB IC50 = 3.8 nM 8.42
CHEMBL5179617 IC50 = 4.3 nM 8.37
CHEMBL5194505 IC50 = 8.2 nM 8.09
CHEMBL5200081 IC50 = 16.5 nM 7.78
CHEMBL5204959 IC50 = 31.3 nM 7.50
CHEMBL5199829 IC50 = 34.1 nM 7.47
CHEMBL5195043 IC50 = 47.2 nM 7.33
CHEMBL5180571 IC50 = 52.1 nM 7.28
CHEMBL5200166 IC50 = 60.6 nM 7.22
CHEMBL5176602 IC50 = 205.1 nM 6.69
CHEMBL5172609 IC50 = 618.3 nM 6.21
CHEMBL5184331 IC50 = 673.0 nM 6.17
CHEMBL5178361 IC50 > 1000.0 nM -
CHEMBL5179046 IC50 > 1000.0 nM -
CHEMBL5184558 IC50 > 1000.0 nM -
CHEMBL5196278 IC50 > 1000.0 nM -
CHEMBL5177262 IC50 > 1000.0 nM -
CHEMBL5205964 IC50 > 1000.0 nM -