Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50151777'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50151777 (3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...) Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14FNO4S2/c1-23-17(20)15-16(24-11-5-3-10(18)4-6-11)13-8-7-12(25(2,21)22)9-14(13)19-15/h3-9,19H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity				Bioorg Med Chem Lett 14: 4741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.075 BindingDB Entry DOI: 10.7270/Q228072S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50151777 (3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-i...) Show SMILES COC(=O)c1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14FNO4S2/c1-23-17(20)15-16(24-11-5-3-10(18)4-6-11)13-8-7-12(25(2,21)22)9-14(13)19-15/h3-9,19H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined				Bioorg Med Chem Lett 14: 4741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.075 BindingDB Entry DOI: 10.7270/Q228072S
					More data for this Ligand-Target Pair