BDBM50142931 CHEMBL3759752

SMILES: Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1

InChI Key: InChIKey=RFLXJKXWTMFVPL-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 = 50142931   

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)	BDBM50142931 (CHEMBL3759752) Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(11-14-29-13-4-12-24)15-23(26(17)21-6-3-5-20(25)16-21)18-7-9-22(10-8-18)30(2,27)28/h3,5-10,15-16H,4,11-14H2,1-2H3	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))	BDBM50142931 (CHEMBL3759752) Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(11-14-29-13-4-12-24)15-23(26(17)21-6-3-5-20(25)16-21)18-7-9-22(10-8-18)30(2,27)28/h3,5-10,15-16H,4,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	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