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Assay Detail

CHEMBL4223773

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

Binding
Inhibition of human TGase 2 using R-I-Cad/DMC as substrate preincubated for 5 mins followed by substrate addition measured at 30 secs interval over 900 secs by fluorescence anisotropy assay
12
Total Activities
12
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Protein-glutamine gamma-glutamyltransferase (CHEMBL2730)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Nε-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling.
Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.
J Med Chem (2018) 61 : 4528 -4560
PubMed 29664627 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 6.74 7.05
Ki 1 5.17 5.17

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4228875 1 7.05
CHEMBL4227301 1 7.00
CHEMBL4228168 1 6.96
CHEMBL4227835 1 6.85
CHEMBL4228542 1 6.77
CHEMBL4227328 1 6.75
CHEMBL4226785 1 6.70
CHEMBL4228671 1 6.66
CHEMBL2203451 1 6.51
CHEMBL4225490 1 6.47
CHEMBL4228146 1 6.41
CHEMBL4226594 1 5.17

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4228875 IC50 = 90.0 nM 7.05
CHEMBL4227301 IC50 = 100.0 nM 7.00
CHEMBL4228168 IC50 = 110.0 nM 6.96
CHEMBL4227835 IC50 = 140.0 nM 6.85
CHEMBL4228542 IC50 = 170.0 nM 6.77
CHEMBL4227328 IC50 = 180.0 nM 6.75
CHEMBL4226785 IC50 = 200.0 nM 6.70
CHEMBL4228671 IC50 = 220.0 nM 6.66
CHEMBL2203451 IC50 = 310.0 nM 6.51
CHEMBL4225490 IC50 = 340.0 nM 6.47
CHEMBL4228146 IC50 = 390.0 nM 6.41
CHEMBL4226594 Ki = 6810.0 nM 5.17