Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50021507'   

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))	BDBM50021507 (CHEMBL3290203) Show SMILES Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C22H19N5O3S/c1-15-7-9-17(10-8-15)24-22(28)20-25-21(16-5-3-2-4-6-16)27(26-20)18-11-13-19(14-12-18)31(23,29)30/h2-14H,1H3,(H,24,28)(H2,23,29,30)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay				Eur J Med Chem 83: 398-408 (2014) Article DOI: 10.1016/j.ejmech.2014.06.049 BindingDB Entry DOI: 10.7270/Q24F1S98
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