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Assay Detail

CHEMBL655563

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

Binding
Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2)
ChEMBL ↗
48
Total Activities
48
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

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

Publication

Synthesis, structure-activity relationships, and in vivo evaluations of substituted di-tert-butylphenols as a novel class of potent, selective, and orally active cyclooxygenase-2 inhibitors. 2. 1,3,4- and 1,2,4-thiadiazole series.
Song Y, Connor DT, Sercel AD, Sorenson RJ, Doubleday R, Unangst PC, Roth BD, Beylin VG, Gilbertsen RB, Chan K, Schrier DJ, Guglietta A, Bornemeier DA, Dyer RD.
J Med Chem (1999) 42 : 1161 -1169
PubMed 10197960 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 48 5.51 7.33

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL17229 — — 1 7.33
CHEMBL16981 — — 1 7.19
CHEMBL279801 — — 1 6.85
CHEMBL12532 — — 1 6.82
CHEMBL7162 NS-398 — 1 6.72
CHEMBL274990 SC-58125 — 1 6.51
CHEMBL280326 — — 1 6.47
CHEMBL279308 — — 1 5.96
CHEMBL16891 — — 1 5.89
CHEMBL275188 — — 1 5.85
CHEMBL16828 — — 1 5.82
CHEMBL17218 — — 1 5.70
CHEMBL16881 — — 1 5.52
CHEMBL417073 — — 1 5.46
CHEMBL274457 — — 1 5.39
CHEMBL16659 — — 1 5.26
CHEMBL6 INDOMETHACIN 4.0 1 5.24
CHEMBL16733 — — 1 5.21
CHEMBL16819 — — 1 5.19
CHEMBL279755 — — 1 5.02
CHEMBL16814 — — 1 4.96
CHEMBL16826 — — 1 4.77
CHEMBL279336 — — 1 4.72
CHEMBL16878 — — 1 4.64
CHEMBL17104 — — 1 4.57
CHEMBL274271 — — 1 4.39
CHEMBL276916 — — 1 4.33
CHEMBL275838 — — 1 4.00
CHEMBL276739 — — 1 4.00
CHEMBL16522 — — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL17229 — IC50 = 47.0 nM 7.33
CHEMBL16981 — IC50 = 64.0 nM 7.19
CHEMBL279801 — IC50 = 140.0 nM 6.85
CHEMBL12532 — IC50 = 150.0 nM 6.82
CHEMBL7162 NS-398 IC50 = 190.0 nM 6.72
CHEMBL274990 SC-58125 IC50 = 310.0 nM 6.51
CHEMBL280326 — IC50 = 340.0 nM 6.47
CHEMBL279308 — IC50 = 1100.0 nM 5.96
CHEMBL16891 — IC50 = 1300.0 nM 5.89
CHEMBL275188 — IC50 = 1400.0 nM 5.85
CHEMBL16828 — IC50 = 1500.0 nM 5.82
CHEMBL17218 — IC50 = 2000.0 nM 5.70
CHEMBL16881 — IC50 = 3000.0 nM 5.52
CHEMBL417073 — IC50 = 3500.0 nM 5.46
CHEMBL274457 — IC50 = 4100.0 nM 5.39
CHEMBL16659 — IC50 = 5500.0 nM 5.26
CHEMBL6 INDOMETHACIN IC50 = 5800.0 nM 5.24
CHEMBL16733 — IC50 = 6100.0 nM 5.21
CHEMBL16819 — IC50 = 6500.0 nM 5.19
CHEMBL279755 — IC50 = 9600.0 nM 5.02
CHEMBL16814 — IC50 = 11000.0 nM 4.96
CHEMBL16826 — IC50 = 17000.0 nM 4.77
CHEMBL279336 — IC50 = 19000.0 nM 4.72
CHEMBL16878 — IC50 = 23000.0 nM 4.64
CHEMBL17104 — IC50 = 27000.0 nM 4.57
CHEMBL274271 — IC50 = 41000.0 nM 4.39
CHEMBL276916 — IC50 = 47000.0 nM 4.33
CHEMBL275838 — IC50 = 100000.0 nM 4.00
CHEMBL276739 — IC50 = 100000.0 nM 4.00
CHEMBL16674 — IC50 > 20000.0 nM -
CHEMBL16827 — IC50 > 20000.0 nM -
CHEMBL16353 — IC50 > 20000.0 nM -
CHEMBL16843 — IC50 > 20000.0 nM -
CHEMBL276062 — IC50 > 20000.0 nM -
CHEMBL279608 — IC50 > 20000.0 nM -
CHEMBL276526 — IC50 > 20000.0 nM -
CHEMBL16854 — IC50 > 20000.0 nM -
CHEMBL279753 — IC50 > 20000.0 nM -
CHEMBL17307 — IC50 > 20000.0 nM -
CHEMBL16647 — IC50 > 20000.0 nM -
CHEMBL278040 — IC50 > 20000.0 nM -
CHEMBL16753 — IC50 > 20000.0 nM -
CHEMBL16698 — IC50 > 20000.0 nM -
CHEMBL279387 — IC50 > 20000.0 nM -
CHEMBL16977 — IC50 > 20000.0 nM -
CHEMBL17091 — IC50 > 20000.0 nM -
CHEMBL416165 — IC50 > 20000.0 nM -
CHEMBL16522 — IC50 > 20000.0 nM -