Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50366158'   

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))	BDBM50366158 (CHEMBL1957571) Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C14H15FN2O6S/c15-8-3-1-7(2-4-8)12(20)17-10(6-24)13(21)16-9(14(22)23)5-11(18)19/h1-4,9-10,24H,5-6H2,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t9-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2221-6 (2012) Article DOI: 10.1016/j.bmc.2012.02.021 BindingDB Entry DOI: 10.7270/Q2RV0P5K
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