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Assay Detail

CHEMBL4378183

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

Binding
Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by LC-MS/MS analysis
34
Total Activities
34
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

Leukotriene C4 synthase (CHEMBL1743183)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1<i>S</i>,2<i>S</i>)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
Munck Af Rosenschöld M, Johannesson P, Nikitidis A, Tyrchan C, Chang HF, Rönn R, Chapman D, Ullah V, Nikitidis G, Glader P, Käck H, Bonn B, Wågberg F, Björkstrand E, Andersson U, Swedin L, Rohman M, Andreasson T, Bergström EL, Jiang F, Zhou XH, Lundqvist AJ, Malmberg A, Ek M, Gordon E, Pettersen A, Ripa L, Davis AM.
J Med Chem (2019) 62 : 7769 -7787
PubMed 31415176 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 34 8.39 9.60

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3903201 1 9.60
CHEMBL3961833 AZD-9898 1.0 1 9.55
CHEMBL4549822 1 9.55
CHEMBL4567083 1 9.44
CHEMBL4464773 1 9.42
CHEMBL4562583 1 9.22
CHEMBL4563433 1 9.20
CHEMBL4584584 1 9.20
CHEMBL3971210 1 9.18
CHEMBL4574439 1 9.15
CHEMBL4441362 1 9.12
CHEMBL4476024 1 8.98
CHEMBL4454609 1 8.85
CHEMBL4545014 1 8.71
CHEMBL4545950 1 8.68
CHEMBL4525972 1 8.62
CHEMBL4467942 1 8.43
CHEMBL4574370 1 8.32
CHEMBL4442047 1 8.31
CHEMBL4576647 1 8.28
CHEMBL4567339 1 8.19
CHEMBL4439499 1 8.10
CHEMBL4439148 1 8.06
CHEMBL4445815 1 7.94
CHEMBL4531985 1 7.89
CHEMBL4565208 1 7.87
CHEMBL4456770 1 7.81
CHEMBL4465323 1 7.61
CHEMBL4440468 1 7.56
CHEMBL4466708 1 7.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3903201 IC50 = 0.25 nM 9.60
CHEMBL3961833 AZD-9898 IC50 = 0.28 nM 9.55
CHEMBL4549822 IC50 = 0.28 nM 9.55
CHEMBL4567083 IC50 = 0.36 nM 9.44
CHEMBL4464773 IC50 = 0.381 nM 9.42
CHEMBL4562583 IC50 = 0.6 nM 9.22
CHEMBL4563433 IC50 = 0.626 nM 9.20
CHEMBL4584584 IC50 = 0.63 nM 9.20
CHEMBL3971210 IC50 = 0.66 nM 9.18
CHEMBL4574439 IC50 = 0.7 nM 9.15
CHEMBL4441362 IC50 = 0.758 nM 9.12
CHEMBL4476024 IC50 = 1.05 nM 8.98
CHEMBL4454609 IC50 = 1.41 nM 8.85
CHEMBL4545014 IC50 = 1.97 nM 8.71
CHEMBL4545950 IC50 = 2.08 nM 8.68
CHEMBL4525972 IC50 = 2.4 nM 8.62
CHEMBL4467942 IC50 = 3.71 nM 8.43
CHEMBL4574370 IC50 = 4.74 nM 8.32
CHEMBL4442047 IC50 = 4.94 nM 8.31
CHEMBL4576647 IC50 = 5.26 nM 8.28
CHEMBL4567339 IC50 = 6.42 nM 8.19
CHEMBL4439499 IC50 = 7.9 nM 8.10
CHEMBL4439148 IC50 = 8.65 nM 8.06
CHEMBL4445815 IC50 = 11.5 nM 7.94
CHEMBL4531985 IC50 = 13.0 nM 7.89
CHEMBL4565208 IC50 = 13.5 nM 7.87
CHEMBL4456770 IC50 = 15.5 nM 7.81
CHEMBL4465323 IC50 = 24.3 nM 7.61
CHEMBL4440468 IC50 = 27.4 nM 7.56
CHEMBL4466708 IC50 = 31.8 nM 7.50
CHEMBL4460916 IC50 = 35.0 nM 7.46
CHEMBL4565235 IC50 = 109.0 nM 6.96
CHEMBL4440339 IC50 = 158.0 nM 6.80
CHEMBL4457672 IC50 = 1900.0 nM 5.72