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Assay Detail

CHEMBL3887378

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

Binding
In Vitro Inhibition Assay: The murine monocyte/macrophage cell line J774 is grown in Dulbecco's modified Eagle's medium (DMEM), enriched with glutamine (2 mM), HEPES (25 mM), penicillin (100 ug/mL), streptomycin (100 ug/mL), 10% of fetal bovine serum (FBS) and 1.2% of sodium pyruvate. The cells are distributed in 24-well plates at a density of 2.5x105 cells/mL or in culture dishes with a diameter of 10 cm (1x107 cells/10 mL/dish) and kept for 2 hours at 37° C. in a CO2 (5%)/O2 (95%) atmosphere. Just before the experiments, the culture medium is replaced with fresh medium without FBS to avoid interference during the radio-immunological phase and the cells are stimulated as described below.Evaluation of COX-1 Activity.The cells are pretreated with the test compounds for 15 minutes and then incubated for 30 minutes with arachidonic acid (15x10-6 m). At the end of incubation the supernatants are collected for evaluating, by means of radio-immunological assays, the amount of PGE2 produced.
50
Total Activities
47
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Prostaglandin G/H synthase 2 (CHEMBL230)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

1,5-Diary1-2-alkylpyrrole-3-substituted nitro esters, selective COX-2 inhibitors and nitric oxide donors
(2015)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 50 6.89 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1939677 1 8.70
CHEMBL1939671 1 8.15
CHEMBL3104559 1 7.85
CHEMBL2337402 1 7.85
CHEMBL2337404 1 7.82
CHEMBL2337400 1 7.77
CHEMBL1939670 1 7.72
CHEMBL1939511 1 7.64
CHEMBL1939678 1 7.57
CHEMBL2337407 1 7.57
CHEMBL1939675 1 7.57
CHEMBL2337401 1 7.55
CHEMBL1939668 1 7.37
CHEMBL2337408 1 7.34
CHEMBL3949091 1 7.26
CHEMBL4109738 1 7.24
CHEMBL3104540 1 7.17
CHEMBL3905421 1 7.16
CHEMBL3104548 1 7.07
CHEMBL1939680 1 7.07
CHEMBL1939514 1 7.07
CHEMBL2337409 1 7.05
CHEMBL1939512 1 7.05
CHEMBL3906128 1 6.96
CHEMBL4111609 2 6.85
CHEMBL4109772 1 6.80
CHEMBL1939676 1 6.77
CHEMBL2337406 1 6.72
CHEMBL3927500 1 6.66
CHEMBL3104556 2 6.62

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1939677 IC50 = 2.0 nM 8.70
CHEMBL1939671 IC50 = 7.0 nM 8.15
CHEMBL2337402 IC50 = 14.0 nM 7.85
CHEMBL3104559 IC50 = 14.0 nM 7.85
CHEMBL2337404 IC50 = 15.0 nM 7.82
CHEMBL2337400 IC50 = 17.0 nM 7.77
CHEMBL1939670 IC50 = 19.0 nM 7.72
CHEMBL1939511 IC50 = 23.0 nM 7.64
CHEMBL1939678 IC50 = 27.0 nM 7.57
CHEMBL2337407 IC50 = 27.0 nM 7.57
CHEMBL1939675 IC50 = 27.0 nM 7.57
CHEMBL2337401 IC50 = 28.0 nM 7.55
CHEMBL1939668 IC50 = 43.0 nM 7.37
CHEMBL2337408 IC50 = 46.0 nM 7.34
CHEMBL3949091 IC50 = 55.0 nM 7.26
CHEMBL4109738 IC50 = 57.0 nM 7.24
CHEMBL3104540 IC50 = 68.0 nM 7.17
CHEMBL3905421 IC50 = 69.0 nM 7.16
CHEMBL3104548 IC50 = 86.0 nM 7.07
CHEMBL1939680 IC50 = 85.0 nM 7.07
CHEMBL1939514 IC50 = 85.0 nM 7.07
CHEMBL2337409 IC50 = 89.0 nM 7.05
CHEMBL1939512 IC50 = 89.0 nM 7.05
CHEMBL3906128 IC50 = 110.0 nM 6.96
CHEMBL4111609 IC50 = 140.0 nM 6.85
CHEMBL4111609 IC50 = 140.0 nM 6.85
CHEMBL4109772 IC50 = 160.0 nM 6.80
CHEMBL1939676 IC50 = 170.0 nM 6.77
CHEMBL2337406 IC50 = 190.0 nM 6.72
CHEMBL3927500 IC50 = 220.0 nM 6.66
CHEMBL3104556 IC50 = 240.0 nM 6.62
CHEMBL3104556 IC50 = 240.0 nM 6.62
CHEMBL1939515 IC50 = 260.0 nM 6.58
CHEMBL3104558 IC50 = 290.0 nM 6.54
CHEMBL3104539 IC50 = 300.0 nM 6.52
CHEMBL4110339 IC50 = 310.0 nM 6.51
CHEMBL2337396 IC50 = 420.0 nM 6.38
CHEMBL2337405 IC50 = 430.0 nM 6.37
CHEMBL3908211 IC50 = 550.0 nM 6.26
CHEMBL1939517 IC50 = 700.0 nM 6.16
CHEMBL3104553 IC50 = 740.0 nM 6.13
CHEMBL2153825 IC50 = 820.0 nM 6.09
CHEMBL2337403 IC50 = 920.0 nM 6.04
CHEMBL2337399 IC50 = 940.0 nM 6.03
CHEMBL2153827 IC50 = 1000.0 nM 6.00
CHEMBL1939516 IC50 = 1100.0 nM 5.96
CHEMBL3971575 IC50 = 1100.0 nM 5.96
CHEMBL2337398 IC50 = 1500.0 nM 5.82
CHEMBL3104544 IC50 = 1600.0 nM 5.80
CHEMBL3104544 IC50 = 1600.0 nM 5.80