Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50338762'   

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))	BDBM50338762 (CHEMBL1684388 | N-(2-(Benzyloxy)-5-chlorophenyl)-N...) Show SMILES COC1(CCOCC1)c1cccc(CN(c2cc(Cl)ccc2OCc2ccccc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C27H30ClNO5S/c1-32-27(13-15-33-16-14-27)23-10-6-9-22(17-23)19-29(35(2,30)31)25-18-24(28)11-12-26(25)34-20-21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 assessed as PGF2alpha level by EIA				Bioorg Med Chem 19: 2074-83 (2011) Article DOI: 10.1016/j.bmc.2011.01.043 BindingDB Entry DOI: 10.7270/Q2GF0TSP
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