BDBM50129500 6-Isopropylsulfanyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-pyran-2-one::CHEMBL69853

SMILES: CC(C)Sc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1

InChI Key: InChIKey=AHJYHOHEXCMRCC-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50129500   

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))	BDBM50129500 (6-Isopropylsulfanyl-3-(4-methanesulfonyl-phenyl)-4...) Show SMILES CC(C)Sc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O4S2/c1-14(2)26-19-13-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50129500 (6-Isopropylsulfanyl-3-(4-methanesulfonyl-phenyl)-4...) Show SMILES CC(C)Sc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O4S2/c1-14(2)26-19-13-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3	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 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
Cyclooxygenase-2 (Bos taurus)	BDBM50129500 (6-Isopropylsulfanyl-3-(4-methanesulfonyl-phenyl)-4...) Show SMILES CC(C)Sc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O4S2/c1-14(2)26-19-13-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3	PDB MMDB Reactome pathway 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 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-2) (Ovis aries (Sheep))	BDBM50129500 (6-Isopropylsulfanyl-3-(4-methanesulfonyl-phenyl)-4...) Show SMILES CC(C)Sc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O4S2/c1-14(2)26-19-13-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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