null

SMILES: COc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=HGVAQSWCWWCEQC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361590   

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 (Mus musculus (Mouse))	BDBM50361590 (CHEMBL1939677) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H26N2O8S/c1-17-19(16-24(27)33-13-4-14-34-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(32-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50361590 (CHEMBL1939677) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H26N2O8S/c1-17-19(16-24(27)33-13-4-14-34-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(32-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3	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£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-1-mediated PGE2 production in arachidonic acid-stimulated mouse J774 cells incubated for 15 mins prior to arachidonic acid-challeng...				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair