BDBM50152543 1-[(E)-1-hexyl-2-phenylvinyl]-4-(methylsulfonyl)benzene::CHEMBL187145

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

InChI Key: InChIKey=KLEINUAKRSRGRN-LVZFUZTISA-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 = 50152543   

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) (Ovis aries (Sheep))	BDBM50152543 (1-[(E)-1-hexyl-2-phenylvinyl]-4-(methylsulfonyl)be...) Show SMILES CCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H26O2S/c1-3-4-5-9-12-20(17-18-10-7-6-8-11-18)19-13-15-21(16-14-19)24(2,22)23/h6-8,10-11,13-17H,3-5,9,12H2,1-2H3/b20-17+	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
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50152543 (1-[(E)-1-hexyl-2-phenylvinyl]-4-(methylsulfonyl)be...) Show SMILES CCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H26O2S/c1-3-4-5-9-12-20(17-18-10-7-6-8-11-18)19-13-15-21(16-14-19)24(2,22)23/h6-8,10-11,13-17H,3-5,9,12H2,1-2H3/b20-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	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