BDBM50152546 1-[(E)-1-octyl-2-phenylvinyl]-4-(methylsulfonyl)benzene::CHEMBL365615

SMILES: CCCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=XWFGDAXZUZIQCJ-DYTRJAOYSA-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 = 50152546   

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-2) (Ovis aries (Sheep))	BDBM50152546 (1-[(E)-1-octyl-2-phenylvinyl]-4-(methylsulfonyl)be...) Show SMILES CCCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H28O2S/c1-3-4-5-6-10-13-21(18-19-11-8-7-9-12-19)20-14-16-22(17-15-20)25(2,23)24/h7-9,11-12,14-18H,3-6,10,13H2,1-2H3/b21-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 14: 4911-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.027 BindingDB Entry DOI: 10.7270/Q2348JVS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50152546 (1-[(E)-1-octyl-2-phenylvinyl]-4-(methylsulfonyl)be...) Show SMILES CCCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H28O2S/c1-3-4-5-6-10-13-21(18-19-11-8-7-9-12-19)20-14-16-22(17-15-20)25(2,23)24/h7-9,11-12,14-18H,3-6,10,13H2,1-2H3/b21-18+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 4911-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.027 BindingDB Entry DOI: 10.7270/Q2348JVS
					More data for this Ligand-Target Pair