Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM246500'   

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 (Ovis aries (Sheep))	BDBM246500 ((4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-o...) Show SMILES Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by colorimetric assay				Bioorg Med Chem 17: 2689-94 (2009) Article DOI: 10.1016/j.bmc.2009.02.057 BindingDB Entry DOI: 10.7270/Q2RF5XTR
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