BDBM50495268 CHEMBL3104542

SMILES: Cc1c(CC(=O)NC(CCO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1

InChI Key: InChIKey=PEZKTNRRURINRK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50495268   

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)	BDBM50495268 (CHEMBL3104542) Show SMILES Cc1c(CC(=O)NC(CCO[N+]([O-])=O)C(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C24H24FN3O8S/c1-15-17(13-23(29)26-21(24(30)31)10-11-36-28(32)33)12-22(27(15)19-5-3-4-18(25)14-19)16-6-8-20(9-7-16)37(2,34)35/h3-9,12,14,21H,10-11,13H2,1-2H3,(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
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