BDBM50150726 3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-4-phenyl-pyran-2-one::6-(4-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)-4-phenyl-2H-pyran-2-one::CHEMBL187137
SMILES: COc1ccc(cc1)-c1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
InChI Key: InChIKey=AVUUCASFFDRBJI-UHFFFAOYSA-N
Data: 3 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-2) (Ovis aries (Sheep)) | BDBM50150726 (3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of ovine Prostaglandin G/H synthase 2 | J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50150726 (3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of COX2 (unknown origin) | Bioorg Med Chem 17: 3847-56 (2009) Article DOI: 10.1016/j.bmc.2009.04.032 BindingDB Entry DOI: 10.7270/Q2R2118H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50150726 (3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of ovine Prostaglandin G/H synthase 1 | J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX | |||||||||||
More data for this Ligand-Target Pair |