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Assay Detail

CHEMBL4223774

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

Binding
Inhibition of guinea pig TGase 2 using F-Cad/DMC as substrate preincubated for 30 mins followed by substrate addition measured at 30 secs interval over 900 secs by fluorescence anisotropy assay
15
Total Activities
15
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Cavia porcellus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

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 13 6.65 6.92
Ki 2 5.10 5.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4227301 1 6.92
CHEMBL4226785 1 6.82
CHEMBL4228875 1 6.82
CHEMBL4227328 1 6.80
CHEMBL4228468 1 6.80
CHEMBL4228542 1 6.77
CHEMBL4228168 1 6.70
CHEMBL4228671 1 6.70
CHEMBL2203451 1 6.57
CHEMBL4228146 1 6.57
CHEMBL4225490 1 6.51
CHEMBL4227594 1 6.34
CHEMBL4225338 1 6.10
CHEMBL4226594 1 5.15
CHEMBL4226019 1 5.04

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4227301 IC50 = 120.0 nM 6.92
CHEMBL4226785 IC50 = 150.0 nM 6.82
CHEMBL4228875 IC50 = 150.0 nM 6.82
CHEMBL4227328 IC50 = 160.0 nM 6.80
CHEMBL4228468 IC50 = 160.0 nM 6.80
CHEMBL4228542 IC50 = 170.0 nM 6.77
CHEMBL4228168 IC50 = 200.0 nM 6.70
CHEMBL4228671 IC50 = 200.0 nM 6.70
CHEMBL2203451 IC50 = 270.0 nM 6.57
CHEMBL4228146 IC50 = 270.0 nM 6.57
CHEMBL4225490 IC50 = 310.0 nM 6.51
CHEMBL4227594 IC50 = 460.0 nM 6.34
CHEMBL4225338 IC50 = 790.0 nM 6.10
CHEMBL4226594 Ki = 7140.0 nM 5.15
CHEMBL4226019 Ki = 9150.0 nM 5.04