BDBM50134825 3-(4-Methanesulfonyl-phenyl)-4-phenyl-6-propylsulfanyl-pyran-2-one::CHEMBL143779

SMILES: CCCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1

InChI Key: InChIKey=RYDCKTDRWUDOFI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50134825   

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
Cyclooxygenase-2 (Bos taurus)	BDBM50134825 (3-(4-Methanesulfonyl-phenyl)-4-phenyl-6-propylsulf...) Show SMILES CCCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O4S2/c1-3-13-26-19-14-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)27(2,23)24/h4-12,14H,3,13H2,1-2H3	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) (Ovis aries (Sheep))	BDBM50134825 (3-(4-Methanesulfonyl-phenyl)-4-phenyl-6-propylsulf...) Show SMILES CCCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C21H20O4S2/c1-3-13-26-19-14-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)27(2,23)24/h4-12,14H,3,13H2,1-2H3	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