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Assay Detail

CHEMBL4775692

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

Binding
Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay
11
Total Activities
11
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

Tumor necrosis factor (CHEMBL1825)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Development of Orally Efficacious Allosteric Inhibitors of TNFα via Fragment-Based Drug Design.
Dietrich JD,Longenecker KL,Wilson NS,Goess C,Panchal SC,Swann SL,Petros AM,Hobson AD,Ihle D,Song D,Richardson P,Comess KM,Cox PB,Dombrowski A,Sarris K,Donnelly-Roberts DL,Duignan DB,Gomtsyan A,Jung P,Krueger AC,Mathieu S,McClure A,Stoll VS,Wetter J,Mankovich JA,Hajduk PJ,Vasudevan A,Stoffel RH,Sun C
J Med Chem (2021) 64 : 417 -429
PubMed 33378180 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 5.86 7.54

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4779359 1 7.54
CHEMBL4793924 1 7.15
CHEMBL4787790 1 6.79
CHEMBL4793441 1 6.72
CHEMBL4778232 1 5.87
CHEMBL4779860 1 5.28
CHEMBL4783333 1 5.10
CHEMBL4793685 1 4.60
CHEMBL347547 1 3.69
CHEMBL4777805 1 -
CHEMBL1507048 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4779359 IC50 = 29.0 nM 7.54
CHEMBL4793924 IC50 = 71.0 nM 7.15
CHEMBL4787790 IC50 = 163.0 nM 6.79
CHEMBL4793441 IC50 = 189.0 nM 6.72
CHEMBL4778232 IC50 = 1350.0 nM 5.87
CHEMBL4779860 IC50 = 5300.0 nM 5.28
CHEMBL4783333 IC50 = 7960.0 nM 5.10
CHEMBL4793685 IC50 = 25300.0 nM 4.60
CHEMBL347547 IC50 = 204000.0 nM 3.69
CHEMBL4777805 IC50 - -
CHEMBL1507048 IC50 - -