BDBM50495263 CHEMBL3104544

SMILES: Cc1c(CC(=O)NC(CCO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1

InChI Key: InChIKey=GDEMRZBZXNJGFE-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 = 50495263   

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 (cyclooxygenase) (Mus musculus)	BDBM50495263 (CHEMBL3104544) Show SMILES Cc1c(CC(=O)NC(CCO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H24FN3O8S/c1-15-17(14-23(29)26-21(24(30)31)11-12-36-28(32)33)13-22(27(15)19-7-5-18(25)6-8-19)16-3-9-20(10-4-16)37(2,34)35/h3-10,13,21H,11-12,14H2,1-2H3,(H,26,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincubated for 15...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50495263 (CHEMBL3104544) Show SMILES Cc1c(CC(=O)NC(CCO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H24FN3O8S/c1-15-17(14-23(29)26-21(24(30)31)11-12-36-28(32)33)13-22(27(15)19-7-5-18(25)6-8-19)16-3-9-20(10-4-16)37(2,34)35/h3-10,13,21H,11-12,14H2,1-2H3,(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma "La Sapienza" Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...				Bioorg Med Chem 22: 772-86 (2014) Article DOI: 10.1016/j.bmc.2013.12.008 BindingDB Entry DOI: 10.7270/Q2K0777K
					More data for this Ligand-Target Pair