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Assay Detail

CHEMBL4775686

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

Binding
Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis
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
Kd 11 6.04 8.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4793441 1 8.89
CHEMBL4779359 1 8.62
CHEMBL4793924 1 8.17
CHEMBL4787790 1 8.14
CHEMBL4778232 1 7.13
CHEMBL4783333 1 5.57
CHEMBL4779860 1 4.72
CHEMBL4793685 1 4.22
CHEMBL4777805 1 3.98
CHEMBL347547 1 3.52
CHEMBL1507048 1 3.49

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4793441 Kd = 1.3 nM 8.89
CHEMBL4779359 Kd = 2.4 nM 8.62
CHEMBL4793924 Kd = 6.8 nM 8.17
CHEMBL4787790 Kd = 7.3 nM 8.14
CHEMBL4778232 Kd = 74.0 nM 7.13
CHEMBL4783333 Kd = 2700.0 nM 5.57
CHEMBL4779860 Kd = 19000.0 nM 4.72
CHEMBL4793685 Kd = 60000.0 nM 4.22
CHEMBL4777805 Kd = 106000.0 nM 3.98
CHEMBL347547 Kd = 300000.0 nM 3.52
CHEMBL1507048 Kd = 325000.0 nM 3.49