null

SMILES: CC(C)OC1(C)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1

InChI Key: InChIKey=ZKYGSXURZRZQTM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50125610   

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))	BDBM50125610 (3-(4-Fluoro-phenyl)-5-isopropoxy-4-(4-methanesulfo...) Show SMILES CC(C)OC1(C)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C21H21FO5S/c1-13(2)26-21(3)19(15-7-11-17(12-8-15)28(4,24)25)18(20(23)27-21)14-5-9-16(22)10-6-14/h5-13H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was measured against Prostaglandin G/H synthase 2 in human whole blood				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50125610 (3-(4-Fluoro-phenyl)-5-isopropoxy-4-(4-methanesulfo...) Show SMILES CC(C)OC1(C)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C21H21FO5S/c1-13(2)26-21(3)19(15-7-11-17(12-8-15)28(4,24)25)18(20(23)27-21)14-5-9-16(22)10-6-14/h5-13H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was measured against Prostaglandin G/H synthase 1 in the sensitive U937 microsome assay				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair