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Assay Detail

CHEMBL4051887

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

Binding
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric 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

Autotaxin (CHEMBL3691)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
Desroy N, Housseman C, Bock X, Joncour A, Bienvenu N, Cherel L, Labeguere V, Rondet E, Peixoto C, Grassot JM, Picolet O, Annoot D, Triballeau N, Monjardet A, Wakselman E, Roncoroni V, Le Tallec S, Blanque R, Cottereaux C, Vandervoort N, Christophe T, Mollat P, Lamers M, Auberval M, Hrvacic B, Ralic J, Oste L, van der Aar E, Brys R, Heckmann B.
J Med Chem (2017) 60 : 3580 -3590
PubMed 28414242 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 6.89 7.58

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4084282 1 7.58
CHEMBL4061747 1 7.57
CHEMBL4096364 1 7.22
CHEMBL4075483 1 6.99
CHEMBL4091174 1 6.99
CHEMBL3828074 ZIRITAXESTAT 3.0 1 6.88
CHEMBL4095546 1 6.72
CHEMBL4063869 1 6.61
CHEMBL4098810 1 6.56
CHEMBL4064872 1 6.53
CHEMBL4069420 1 6.09

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4084282 IC50 = 26.0 nM 7.58
CHEMBL4061747 IC50 = 27.0 nM 7.57
CHEMBL4096364 IC50 = 60.0 nM 7.22
CHEMBL4075483 IC50 = 102.0 nM 6.99
CHEMBL4091174 IC50 = 103.0 nM 6.99
CHEMBL3828074 ZIRITAXESTAT IC50 = 131.0 nM 6.88
CHEMBL4095546 IC50 = 192.0 nM 6.72
CHEMBL4063869 IC50 = 246.0 nM 6.61
CHEMBL4098810 IC50 = 274.0 nM 6.56
CHEMBL4064872 IC50 = 297.0 nM 6.53
CHEMBL4069420 IC50 = 811.0 nM 6.09