Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50029623'   

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))	BDBM50029623 (1-chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11| Show InChI InChI=1S/C18H17ClO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research & Development Curated by ChEMBL					Assay Description Tested for inhibition against Prostaglandin G/H synthase 2				J Med Chem 37: 3878-81 (1994) BindingDB Entry DOI: 10.7270/Q26D5S1G
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029623 (1-chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11| Show InChI InChI=1S/C18H17ClO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).				J Med Chem 38: 4570-8 (1995) BindingDB Entry DOI: 10.7270/Q23N22D2
					More data for this Ligand-Target Pair