Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50089656'   

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))	BDBM50089656 (CHEMBL3576973) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)NCC(O)=O)c2ccccc12 Show InChI InChI=1S/C21H19N3O7S/c1-13-6-8-14(9-7-13)32(30,31)24-12-16(15-4-2-3-5-17(15)24)20(28)21(29)23-10-18(25)22-11-19(26)27/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry				Eur J Med Chem 97: 104-23 (2015) Article DOI: 10.1016/j.ejmech.2015.04.044 BindingDB Entry DOI: 10.7270/Q2N87CJN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50089656 (CHEMBL3576973) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)NCC(O)=O)c2ccccc12 Show InChI InChI=1S/C21H19N3O7S/c1-13-6-8-14(9-7-13)32(30,31)24-12-16(15-4-2-3-5-17(15)24)20(28)21(29)23-10-18(25)22-11-19(26)27/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,29)(H,26,27)	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	890	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...				Eur J Med Chem 97: 104-23 (2015) Article DOI: 10.1016/j.ejmech.2015.04.044 BindingDB Entry DOI: 10.7270/Q2N87CJN
					More data for this Ligand-Target Pair