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Assay Detail

CHEMBL997791

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

Binding
Inhibition of COX2
ChEMBL ↗
62
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Exploration of physicochemical properties and molecular modelling studies of 2-sulfonyl-phenyl-3-phenyl-indole analogs as cyclooxygenase-2 inhibitors.
Gupta AK, Gupta RA, Soni LK, Kaskhedikar SG.
Eur J Med Chem (2008) 43 : 1297 -1303
PubMed 17714833 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 62 8.98 10.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL499069 — — 2 10.70
CHEMBL501208 — — 2 10.70
CHEMBL525247 — — 2 10.70
CHEMBL502555 — — 2 10.16
CHEMBL500936 — — 2 10.05
CHEMBL524543 — — 2 10.05
CHEMBL499349 — — 2 9.85
CHEMBL525021 — — 2 9.77
CHEMBL500943 — — 2 9.74
CHEMBL525250 — — 2 9.55
CHEMBL502285 — — 2 9.44
CHEMBL502554 — — 2 9.43
CHEMBL118 CELECOXIB 4.0 2 9.28
CHEMBL500674 — — 2 9.27
CHEMBL499070 — — 2 9.22
CHEMBL500675 — — 2 9.10
CHEMBL527107 — — 2 8.85
CHEMBL502556 — — 2 8.84
CHEMBL499348 — — 2 8.70
CHEMBL524542 — — 2 8.50
CHEMBL525246 — — 2 8.30
CHEMBL502286 — — 2 8.30
CHEMBL499347 — — 2 8.29
CHEMBL526370 — — 2 8.19
CHEMBL499041 — — 2 8.08
CHEMBL525020 — — 2 8.00
CHEMBL524662 — — 2 7.47
CHEMBL526720 — — 2 7.07
CHEMBL500935 — — 2 7.00
CHEMBL524304 — — 2 6.84

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL501208 — IC50 = 0.02 nM 10.70
CHEMBL499069 — IC50 = 0.02 nM 10.70
CHEMBL501208 — IC50 = 0.02 nM 10.70
CHEMBL525247 — IC50 = 0.02 nM 10.70
CHEMBL525247 — IC50 = 0.02 nM 10.70
CHEMBL499069 — IC50 = 0.02 nM 10.70
CHEMBL502555 — IC50 = 0.06998 nM 10.16
CHEMBL502555 — IC50 = 0.07 nM 10.15
CHEMBL524543 — IC50 = 0.08995 nM 10.05
CHEMBL500936 — IC50 = 0.08995 nM 10.05
CHEMBL524543 — IC50 = 0.09 nM 10.05
CHEMBL500936 — IC50 = 0.09 nM 10.05
CHEMBL499349 — IC50 = 0.14 nM 9.85
CHEMBL499349 — IC50 = 0.14 nM 9.85
CHEMBL525021 — IC50 = 0.17 nM 9.77
CHEMBL525021 — IC50 = 0.1698 nM 9.77
CHEMBL500943 — IC50 = 0.1799 nM 9.74
CHEMBL500943 — IC50 = 0.18 nM 9.74
CHEMBL525250 — IC50 = 0.28 nM 9.55
CHEMBL525250 — IC50 = 0.2799 nM 9.55
CHEMBL502285 — IC50 = 0.3597 nM 9.44
CHEMBL502285 — IC50 = 0.36 nM 9.44
CHEMBL502554 — IC50 = 0.3698 nM 9.43
CHEMBL502554 — IC50 = 0.37 nM 9.43
CHEMBL118 CELECOXIB IC50 = 0.52 nM 9.28
CHEMBL118 CELECOXIB IC50 = 0.52 nM 9.28
CHEMBL500674 — IC50 = 0.54 nM 9.27
CHEMBL500674 — IC50 = 0.5395 nM 9.27
CHEMBL499070 — IC50 = 0.5998 nM 9.22
CHEMBL499070 — IC50 = 0.6 nM 9.22
CHEMBL500675 — IC50 = 0.8 nM 9.10
CHEMBL500675 — IC50 = 0.7998 nM 9.10
CHEMBL527107 — IC50 = 1.41 nM 8.85
CHEMBL527107 — IC50 = 1.409 nM 8.85
CHEMBL502556 — IC50 = 1.459 nM 8.84
CHEMBL502556 — IC50 = 1.46 nM 8.84
CHEMBL499348 — IC50 = 2.0 nM 8.70
CHEMBL499348 — IC50 = 2.0 nM 8.70
CHEMBL524542 — IC50 = 3.13 nM 8.50
CHEMBL524542 — IC50 = 3.133 nM 8.50
CHEMBL502286 — IC50 = 5.0 nM 8.30
CHEMBL525246 — IC50 = 5.0 nM 8.30
CHEMBL502286 — IC50 = 5.0 nM 8.30
CHEMBL525246 — IC50 = 5.0 nM 8.30
CHEMBL499347 — IC50 = 5.15 nM 8.29
CHEMBL499347 — IC50 = 5.152 nM 8.29
CHEMBL526370 — IC50 = 6.44 nM 8.19
CHEMBL526370 — IC50 = 6.442 nM 8.19
CHEMBL499041 — IC50 = 8.356 nM 8.08
CHEMBL499041 — IC50 = 8.36 nM 8.08