Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50446681'   

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))	BDBM50446681 (CHEMBL3113617) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12 Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)	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	9.11E+3	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
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