BDBM50129499 6-Isopropyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-pyran-2-one::CHEMBL305282
SMILES: CC(C)c1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
InChI Key: InChIKey=QPGGNWDUCHINFV-UHFFFAOYSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50129499 (6-Isopropyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description In vitro inhibition against ovine Prostaglandin G/H synthase 1 | Bioorg Med Chem Lett 13: 2205-9 (2003) BindingDB Entry DOI: 10.7270/Q2J102KC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-2 (Bos taurus) | BDBM50129499 (6-Isopropyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2) | J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50129499 (6-Isopropyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 1 (COX-1) | J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep)) | BDBM50129499 (6-Isopropyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description In vitro inhibition against ovine Prostaglandin G/H synthase 2 | Bioorg Med Chem Lett 13: 2205-9 (2003) BindingDB Entry DOI: 10.7270/Q2J102KC | |||||||||||
More data for this Ligand-Target Pair |