Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50049617'   

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))	BDBM50049617 (4-Chloro-4',5'-difluoro-4''-methanesulfonyl-3-meth...) Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2				J Med Chem 39: 1846-56 (1996) Article DOI: 10.1021/jm950878e BindingDB Entry DOI: 10.7270/Q2Z89BGW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50049617 (4-Chloro-4',5'-difluoro-4''-methanesulfonyl-3-meth...) Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.03	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair