Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50180632'   

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))	BDBM50180632 (CHEMBL3813998) Show SMILES COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc(OC)c1OC Show InChI InChI=1S/C26H26N4O5S/c1-33-21-14-18(15-22(34-2)24(21)35-3)28-23(31)16-36-26-29-20-10-5-4-9-19(20)25(32)30(26)13-11-17-8-6-7-12-27-17/h4-10,12,14-15H,11,13,16H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA				Bioorg Med Chem 24: 3818-28 (2016) Article DOI: 10.1016/j.bmc.2016.06.026 BindingDB Entry DOI: 10.7270/Q2QV3PDJ
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