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Assay Detail

CHEMBL1639902

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

Binding
Inhibition of human COX1
32
Total Activities
32
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

Prostaglandin G/H synthase 1 (CHEMBL221)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life.
Wang JL, Limburg D, Graneto MJ, Springer J, Hamper JR, Liao S, Pawlitz JL, Kurumbail RG, Maziasz T, Talley JJ, Kiefer JR, Carter J.
Bioorg Med Chem Lett (2010) 20 : 7159 -7163
PubMed 20709553 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 32 5.10 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1232083 1 8.70
CHEMBL1630251 1 6.46
CHEMBL1630238 1 6.43
CHEMBL1630249 1 6.36
CHEMBL1288533 1 6.16
CHEMBL1230348 1 6.16
CHEMBL1230209 TIGEMOCOXIB 2.0 1 5.99
CHEMBL1630257 1 5.79
CHEMBL1630250 1 5.71
CHEMBL1630253 1 5.44
CHEMBL1630242 1 5.42
CHEMBL1630232 1 5.13
CHEMBL1630255 1 4.80
CHEMBL1630254 1 4.65
CHEMBL1630223 1 4.40
CHEMBL1630258 1 4.38
CHEMBL1630236 1 4.31
CHEMBL1630233 1 4.18
CHEMBL1630237 1 4.17
CHEMBL1630244 1 4.00
CHEMBL1630245 1 4.00
CHEMBL1630246 1 4.00
CHEMBL1630247 1 4.00
CHEMBL1630243 1 4.00
CHEMBL1630252 1 4.00
CHEMBL1630256 1 4.00
CHEMBL1630248 1 -
CHEMBL1630241 1 -
CHEMBL1630240 1 -
CHEMBL1630239 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1232083 IC50 = 2.0 nM 8.70
CHEMBL1630251 IC50 = 350.0 nM 6.46
CHEMBL1630238 IC50 = 370.0 nM 6.43
CHEMBL1630249 IC50 = 440.0 nM 6.36
CHEMBL1288533 IC50 = 690.0 nM 6.16
CHEMBL1230348 IC50 = 690.0 nM 6.16
CHEMBL1230209 TIGEMOCOXIB IC50 = 1020.0 nM 5.99
CHEMBL1630257 IC50 = 1630.0 nM 5.79
CHEMBL1630250 IC50 = 1950.0 nM 5.71
CHEMBL1630253 IC50 = 3660.0 nM 5.44
CHEMBL1630242 IC50 = 3790.0 nM 5.42
CHEMBL1630232 IC50 = 7440.0 nM 5.13
CHEMBL1630255 IC50 = 15800.0 nM 4.80
CHEMBL1630254 IC50 = 22600.0 nM 4.65
CHEMBL1630223 IC50 = 39800.0 nM 4.40
CHEMBL1630258 IC50 = 41600.0 nM 4.38
CHEMBL1630236 IC50 = 48900.0 nM 4.31
CHEMBL1630233 IC50 = 66700.0 nM 4.18
CHEMBL1630237 IC50 = 68400.0 nM 4.17
CHEMBL1630244 IC50 = 100000.0 nM 4.00
CHEMBL1630245 IC50 = 100000.0 nM 4.00
CHEMBL1630246 IC50 = 100000.0 nM 4.00
CHEMBL1630247 IC50 = 100000.0 nM 4.00
CHEMBL1630243 IC50 = 100000.0 nM 4.00
CHEMBL1630252 IC50 = 100000.0 nM 4.00
CHEMBL1630256 IC50 = 100000.0 nM 4.00
CHEMBL1630248 IC50 = 136000.0 nM -
CHEMBL1630241 IC50 < 140.0 nM -
CHEMBL1630240 IC50 < 140.0 nM -
CHEMBL1630239 IC50 < 140.0 nM -
CHEMBL1630235 IC50 > 100000.0 nM -
CHEMBL1630234 IC50 > 100000.0 nM -