BDBM50262991 CHEMBL479053::[2-Methyl-5-(4-methylsulphonyl)phenyl-3-(2-n-propyloxyethyl)-1-(4-trifluoromethyl)phenyl]-

SMILES: CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=XCFNDCDGESJSCD-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 = 50262991   

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 (COX-2) (Mus musculus (Mouse))	BDBM50262991 (CHEMBL479053 | [2-Methyl-5-(4-methylsulphonyl)phen...) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H26F3NO3S/c1-4-14-31-15-13-19-16-23(18-5-11-22(12-6-18)32(3,29)30)28(17(19)2)21-9-7-20(8-10-21)24(25,26)27/h5-12,16H,4,13-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50262991 (CHEMBL479053 | [2-Methyl-5-(4-methylsulphonyl)phen...) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H26F3NO3S/c1-4-14-31-15-13-19-16-23(18-5-11-22(12-6-18)32(3,29)30)28(17(19)2)21-9-7-20(8-10-21)24(25,26)27/h5-12,16H,4,13-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair