Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50366170'   

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))	BDBM50366170 (CHEMBL1957572) Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C19H19FN2O6/c20-13-5-3-12(4-6-13)17(25)21-15(9-11-1-7-14(24)8-2-11)18(26)22-16(10-23)19(27)28/h1-8,15-16,23-24H,9-10H2,(H,21,25)(H,22,26)(H,27,28)/t15-,16-/m0/s1	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	1.40E+5	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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