Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50381253'   

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))	BDBM50381253 (CHEMBL2018670) Show SMILES Cc1noc2c(Cc3ccc(cc3)[N+]([O-])=O)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 Show InChI InChI=1S/C17H15N7O4S/c1-9-14-15(28-21-9)12(7-10-3-5-11(6-4-10)24(26)27)20-23(16(14)25)8-13-18-19-17(29)22(13)2/h3-6H,7-8H2,1-2H3,(H,19,29)	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hacettepe Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2912-22 (2012) Article DOI: 10.1016/j.bmc.2012.03.021 BindingDB Entry DOI: 10.7270/Q2F76DKX
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