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Assay Detail

CHEMBL4845002

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

Binding
Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition assay
14
Total Activities
13
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

Hepatitis A virus cellular receptor 2 (CHEMBL4630879)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
Rietz TA, Teuscher KB, Mills JJ, Gogliotti RD, Lepovitz LT, Scaggs WR, Yoshida K, Luong K, Lee T, Fesik SW.
J Med Chem (2021) 64 : 14757 -14772
PubMed 34597046 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 13 5.80 6.26
IC50 1 4.28 4.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4873816 1 6.26
CHEMBL4863017 1 6.12
CHEMBL4868118 1 6.01
CHEMBL4875904 1 5.89
CHEMBL4874818 1 5.82
CHEMBL4846039 1 5.82
CHEMBL4859588 1 5.80
CHEMBL4851756 1 5.75
CHEMBL4860976 1 5.68
CHEMBL4872496 1 5.66
CHEMBL4876721 1 5.64
CHEMBL4864303 1 5.58
CHEMBL4863477 2 5.31

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4873816 Ki = 550.0 nM 6.26
CHEMBL4863017 Ki = 750.0 nM 6.12
CHEMBL4868118 Ki = 970.0 nM 6.01
CHEMBL4875904 Ki = 1300.0 nM 5.89
CHEMBL4874818 Ki = 1500.0 nM 5.82
CHEMBL4846039 Ki = 1500.0 nM 5.82
CHEMBL4859588 Ki = 1600.0 nM 5.80
CHEMBL4851756 Ki = 1800.0 nM 5.75
CHEMBL4860976 Ki = 2100.0 nM 5.68
CHEMBL4872496 Ki = 2200.0 nM 5.66
CHEMBL4876721 Ki = 2300.0 nM 5.64
CHEMBL4864303 Ki = 2600.0 nM 5.58
CHEMBL4863477 Ki = 4900.0 nM 5.31
CHEMBL4863477 IC50 = 53000.0 nM 4.28