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Assay Detail

CHEMBL4712039

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

Binding
Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay
29
Total Activities
29
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

From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement.
Mostinski Y,Heynen GJJE,López-Alberca MP,Paul J,Miksche S,Radetzki S,Schaller D,Shanina E,Seyffarth C,Kolomeets Y,Ziebart N,de Schryver J,Oestreich S,Neuenschwander M,Roske Y,Heinemann U,Rademacher C,Volkamer A,von Kries JP,Birchmeier W,Nazaré M
J Med Chem (2020) 63 : 14780 -14804
PubMed 33210922 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 6.13 7.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4750435 1 7.51
CHEMBL1765357 1 7.22
CHEMBL4763014 1 7.19
CHEMBL4781443 1 7.12
CHEMBL4742016 1 6.92
CHEMBL4755222 1 6.89
CHEMBL4741433 1 6.85
CHEMBL4747136 1 6.62
CHEMBL4783825 1 6.41
CHEMBL4795725 1 6.39
CHEMBL501993 1 6.39
CHEMBL4749307 1 6.39
CHEMBL4753055 1 5.96
CHEMBL4752755 1 5.92
CHEMBL4743897 1 5.82
CHEMBL4760652 1 5.80
CHEMBL4788228 1 5.70
CHEMBL4776595 1 5.70
CHEMBL4786030 1 5.64
CHEMBL1232829 1 5.51
CHEMBL4785204 1 5.50
CHEMBL4786693 1 5.47
CHEMBL4750922 1 5.17
CHEMBL4762054 1 5.17
CHEMBL4750590 1 5.12
CHEMBL590043 1 4.92
CHEMBL4762351 1 -
CHEMBL4785466 1 -
CHEMBL4764690 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4750435 IC50 = 31.0 nM 7.51
CHEMBL1765357 IC50 = 60.0 nM 7.22
CHEMBL4763014 IC50 = 65.0 nM 7.19
CHEMBL4781443 IC50 = 75.0 nM 7.12
CHEMBL4742016 IC50 = 120.0 nM 6.92
CHEMBL4755222 IC50 = 130.0 nM 6.89
CHEMBL4741433 IC50 = 140.0 nM 6.85
CHEMBL4747136 IC50 = 240.0 nM 6.62
CHEMBL4783825 IC50 = 390.0 nM 6.41
CHEMBL4795725 IC50 = 410.0 nM 6.39
CHEMBL501993 IC50 = 410.0 nM 6.39
CHEMBL4749307 IC50 = 410.0 nM 6.39
CHEMBL4753055 IC50 = 1100.0 nM 5.96
CHEMBL4752755 IC50 = 1200.0 nM 5.92
CHEMBL4743897 IC50 = 1500.0 nM 5.82
CHEMBL4760652 IC50 = 1600.0 nM 5.80
CHEMBL4788228 IC50 = 2000.0 nM 5.70
CHEMBL4776595 IC50 = 2000.0 nM 5.70
CHEMBL4786030 IC50 = 2300.0 nM 5.64
CHEMBL1232829 IC50 = 3100.0 nM 5.51
CHEMBL4785204 IC50 = 3200.0 nM 5.50
CHEMBL4786693 IC50 = 3400.0 nM 5.47
CHEMBL4750922 IC50 = 6700.0 nM 5.17
CHEMBL4762054 IC50 = 6700.0 nM 5.17
CHEMBL4750590 IC50 = 7500.0 nM 5.12
CHEMBL590043 IC50 = 12000.0 nM 4.92
CHEMBL4762351 IC50 > 10000.0 nM -
CHEMBL4785466 IC50 > 10000.0 nM -
CHEMBL4764690 IC50 > 10000.0 nM -