BDBM50262935 CHEMBL515478::[3-(2-Ethoxyethyl)-2-methyl-5-(4-methylsulphonyl)phenyl-1-(4-trifluoromethyl)phenyl]-1Hpyrrole

SMILES: CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KTEYJBNCXYMANR-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 = 50262935   

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))	BDBM50262935 (CHEMBL515478 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...) Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3NO3S/c1-4-30-14-13-18-15-22(17-5-11-21(12-6-17)31(3,28)29)27(16(18)2)20-9-7-19(8-10-20)23(24,25)26/h5-12,15H,4,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	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)	BDBM50262935 (CHEMBL515478 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...) Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3NO3S/c1-4-30-14-13-18-15-22(17-5-11-21(12-6-17)31(3,28)29)27(16(18)2)20-9-7-19(8-10-20)23(24,25)26/h5-12,15H,4,13-14H2,1-3H3	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