BDBM50142937 CHEMBL3759726

SMILES: CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1

InChI Key: InChIKey=YFJZCBWPMSOVFC-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 = 50142937   

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)	BDBM50142937 (CHEMBL3759726) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C23H26FNO3S/c1-4-13-28-14-12-19-15-23(18-8-10-22(11-9-18)29(3,26)27)25(17(19)2)21-7-5-6-20(24)16-21/h5-11,15-16H,4,12-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by ...				Eur J Med Chem 109: 99-106 (2016) BindingDB Entry DOI: 10.7270/Q2Q2423H
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50142937 (CHEMBL3759726) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C23H26FNO3S/c1-4-13-28-14-12-19-15-23(18-8-10-22(11-9-18)29(3,26)27)25(17(19)2)21-7-5-6-20(24)16-21/h5-11,15-16H,4,12-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay				Eur J Med Chem 109: 99-106 (2016) BindingDB Entry DOI: 10.7270/Q2Q2423H
					More data for this Ligand-Target Pair