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Assay Detail

CHEMBL4417330

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Binding
Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LC-MS analysis
30
Total Activities
30
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf21
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Structure-Activity Relationships of Pentacyclic Triterpenoids as Inhibitors of Cyclooxygenase and Lipoxygenase Enzymes.
Vo NNQ, Nomura Y, Muranaka T, Fukushima EO.
J Nat Prod (2019) 82 : 3311 -3320
PubMed 31774676 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 30 7.35 7.35

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL29920 1 7.35
CHEMBL455098 beta-AMYRIN 1 -
CHEMBL461060 1 -
CHEMBL489551 1 -
CHEMBL4462866 1 -
CHEMBL4566953 1 -
CHEMBL4561483 1 -
CHEMBL230006 ENOXOLONE 2.0 1 -
CHEMBL487933 1 -
CHEMBL400074 ERYTHRODIOL 1 -
CHEMBL168 OLEANOLIC_ACID 1 -
CHEMBL201515 MASLINIC ACID 1 -
CHEMBL464466 ARJUNOLIC ACID 1 -
CHEMBL486400 HEDERAGENIN 1 -
CHEMBL1797308 1 -
CHEMBL2386825 1 -
CHEMBL520726 1 -
CHEMBL395428 1 -
CHEMBL1802044 1 -
CHEMBL455357 1 -
CHEMBL518475 1 -
CHEMBL399873 UVAOL 1 -
CHEMBL169 URSOLIC ACID 2.0 1 -
CHEMBL391533 COROSOLIC ACID 1 -
CHEMBL404313 ASIATIC ACID 1 -
CHEMBL267225 BOSWELLIC ACID 2.0 1 -
CHEMBL437964 11-KETO BOSWELLIC ACID 1 -
CHEMBL236906 1 -
CHEMBL237111 AKBA -1.0 1 -
CHEMBL2386654 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL29920 IC50 = 45.0 nM 7.35
CHEMBL455098 beta-AMYRIN IC50 - -
CHEMBL461060 IC50 - -
CHEMBL489551 IC50 - -
CHEMBL4462866 IC50 > 40000.0 nM -
CHEMBL4566953 IC50 > 40000.0 nM -
CHEMBL4561483 IC50 > 40000.0 nM -
CHEMBL230006 ENOXOLONE IC50 > 40000.0 nM -
CHEMBL487933 IC50 > 40000.0 nM -
CHEMBL400074 ERYTHRODIOL IC50 - -
CHEMBL168 OLEANOLIC_ACID IC50 > 40000.0 nM -
CHEMBL201515 MASLINIC ACID IC50 > 40000.0 nM -
CHEMBL464466 ARJUNOLIC ACID IC50 > 40000.0 nM -
CHEMBL486400 HEDERAGENIN IC50 - -
CHEMBL1797308 IC50 > 40000.0 nM -
CHEMBL2386825 IC50 - -
CHEMBL520726 IC50 > 40000.0 nM -
CHEMBL395428 IC50 > 40000.0 nM -
CHEMBL1802044 IC50 > 40000.0 nM -
CHEMBL455357 IC50 - -
CHEMBL518475 IC50 > 40000.0 nM -
CHEMBL399873 UVAOL IC50 - -
CHEMBL169 URSOLIC ACID IC50 > 40000.0 nM -
CHEMBL391533 COROSOLIC ACID IC50 > 40000.0 nM -
CHEMBL404313 ASIATIC ACID IC50 > 40000.0 nM -
CHEMBL267225 BOSWELLIC ACID IC50 > 40000.0 nM -
CHEMBL437964 11-KETO BOSWELLIC ACID IC50 > 40000.0 nM -
CHEMBL236906 IC50 > 40000.0 nM -
CHEMBL237111 AKBA IC50 > 40000.0 nM -
CHEMBL2386654 IC50 - -