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Assay Detail

CHEMBL4701889

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

Binding
Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY122 incubated for 30 mins by fluorescence based 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

Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
LaMarche MJ,Acker M,Argintaru A,Bauer D,Boisclair J,Chan H,Chen CH,Chen YN,Chen Z,Deng Z,Dore M,Dunstan D,Fan J,Fekkes P,Firestone B,Fodor M,Garcia-Fortanet J,Fortin PD,Fridrich C,Giraldes J,Glick M,Grunenfelder D,Hao HX,Hentemann M,Ho S,Jouk A,Kang ZB,Karki R,Kato M,Keen N,Koenig R,LaBonte LR,Larrow J,Liu G,Liu S,Majumdar D,Mathieu S,Meyer MJ,Mohseni M,Ntaganda R,Palermo M,Perez L,Pu M,Ramsey T,Reilly J,Sarver P,Sellers WR,Sendzik M,Shultz MD,Slisz J,Slocum K,Smith T,Spence S,Stams T,Straub C,Tamez V,Toure BB,Towler C,Wang P,Wang H,Williams SL,Yang F,Yu B,Zhang JH,Zhu S
J Med Chem (2020) 63 : 13578 -13594
PubMed 32910655 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 6.50 8.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4740294 1 8.15
CHEMBL4763213 1 8.00
CHEMBL4650521 BATOPROTAFIB 2.0 1 7.96
CHEMBL4755819 1 7.92
CHEMBL4747789 1 7.85
CHEMBL4743002 1 7.77
CHEMBL4789106 1 7.77
CHEMBL4795635 1 7.66
CHEMBL4784611 1 7.64
CHEMBL4750422 1 7.54
CHEMBL4762625 1 7.54
CHEMBL4756767 1 7.17
CHEMBL4746224 1 7.16
CHEMBL4060033 1 7.16
CHEMBL4754023 1 7.12
CHEMBL4778151 1 6.78
CHEMBL4445214 1 6.58
CHEMBL4540461 1 6.52
CHEMBL4453719 1 5.89
CHEMBL4581173 1 5.24
CHEMBL4585337 1 5.19
CHEMBL4763856 1 5.00
CHEMBL4473316 1 4.92
CHEMBL4562377 1 4.66
CHEMBL4514244 1 4.33
CHEMBL4459456 1 4.27
CHEMBL4797606 1 4.19
CHEMBL4566119 1 4.00
CHEMBL4558200 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4740294 IC50 = 7.0 nM 8.15
CHEMBL4763213 IC50 = 10.0 nM 8.00
CHEMBL4650521 BATOPROTAFIB IC50 = 11.0 nM 7.96
CHEMBL4755819 IC50 = 12.0 nM 7.92
CHEMBL4747789 IC50 = 14.0 nM 7.85
CHEMBL4743002 IC50 = 17.0 nM 7.77
CHEMBL4789106 IC50 = 17.0 nM 7.77
CHEMBL4795635 IC50 = 22.0 nM 7.66
CHEMBL4784611 IC50 = 23.0 nM 7.64
CHEMBL4750422 IC50 = 29.0 nM 7.54
CHEMBL4762625 IC50 = 29.0 nM 7.54
CHEMBL4756767 IC50 = 67.0 nM 7.17
CHEMBL4746224 IC50 = 70.0 nM 7.16
CHEMBL4060033 IC50 = 70.0 nM 7.16
CHEMBL4754023 IC50 = 76.0 nM 7.12
CHEMBL4778151 IC50 = 166.0 nM 6.78
CHEMBL4445214 IC50 = 260.0 nM 6.58
CHEMBL4540461 IC50 = 300.0 nM 6.52
CHEMBL4453719 IC50 = 1300.0 nM 5.89
CHEMBL4581173 IC50 = 5700.0 nM 5.24
CHEMBL4585337 IC50 = 6500.0 nM 5.19
CHEMBL4763856 IC50 = 9900.0 nM 5.00
CHEMBL4473316 IC50 = 12000.0 nM 4.92
CHEMBL4562377 IC50 = 22000.0 nM 4.66
CHEMBL4514244 IC50 = 47000.0 nM 4.33
CHEMBL4459456 IC50 = 54000.0 nM 4.27
CHEMBL4797606 IC50 = 64000.0 nM 4.19
CHEMBL4566119 IC50 = 99000.0 nM 4.00
CHEMBL4558200 IC50 > 100000.0 nM -