BDBM50495264 CHEMBL3104557

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

InChI Key: InChIKey=YGFGNKIWBGWQFL-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 = 50495264   

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)	BDBM50495264 (CHEMBL3104557) Show SMILES Cc1c(CC(=O)NCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H24FN3O6S/c1-16-18(15-23(28)25-12-3-13-33-27(29)30)14-22(26(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)34(2,31)32/h4-11,14H,3,12-13,15H2,1-2H3,(H,25,28)	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))	BDBM50495264 (CHEMBL3104557) Show SMILES Cc1c(CC(=O)NCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H24FN3O6S/c1-16-18(15-23(28)25-12-3-13-33-27(29)30)14-22(26(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)34(2,31)32/h4-11,14H,3,12-13,15H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	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