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SMILES: Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1

InChI Key: InChIKey=IGGOOAHZHNRLIS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50430953   

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 2 (Homo sapiens (Human))	BDBM50430953 (CHEMBL2337408 | US9162979, 38-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H24FNO4S/c1-16-18(10-12-28-13-11-25)14-22(24(16)20-5-3-4-19(23)15-20)17-6-8-21(9-7-17)29(2,26)27/h3-9,14-15,25H,10-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	37
ROTTAPHARM BIOTECH S.R.L. US Patent					Assay Description The murine monocyte/macrophage cell line J774 is grown in Dulbecco's modified Eagle's medium (DMEM), enriched with glutamine (2 mM), HEPES (25 mM), p...				US Patent US9162979 (2015) BindingDB Entry DOI: 10.7270/Q23T9G01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50430953 (CHEMBL2337408 | US9162979, 38-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H24FNO4S/c1-16-18(10-12-28-13-11-25)14-22(24(16)20-5-3-4-19(23)15-20)17-6-8-21(9-7-17)29(2,26)27/h3-9,14-15,25H,10-13H2,1-2H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced COX1 activity in mouse J774 cells assessed as decrease in PGE2 levels incubated for 15 mins prior to arachidon...				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430953 (CHEMBL2337408 | US9162979, 38-II) Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H24FNO4S/c1-16-18(10-12-28-13-11-25)14-22(24(16)20-5-3-4-19(23)15-20)17-6-8-21(9-7-17)29(2,26)27/h3-9,14-15,25H,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair