Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50330856'   

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))	BDBM50330856 (2-(2-bromo-4-(((1,2-trans)-2-hydroxycyclopentyl)me...) Show SMILES CC(C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1Br |r| Show InChI InChI=1S/C15H19BrO3/c1-9(15(18)19)12-6-5-10(8-13(12)16)7-11-3-2-4-14(11)17/h5-6,8-9,11,14,17H,2-4,7H2,1H3,(H,18,19)/t9?,11-,14+/m1/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	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as PGE2 biosynthesis after 24 hrs by EIA				J Med Chem 53: 7879-82 (2010) Article DOI: 10.1021/jm101116s BindingDB Entry DOI: 10.7270/Q2WS8TGV
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