Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50035934'   

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))	BDBM50035934 (CHEMBL3338727) Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H18BrN5OS/c26-20-13-11-18(12-14-20)24-19(16-30(29-24)21-7-3-1-4-8-21)15-27-28-25-31(23(32)17-33-25)22-9-5-2-6-10-22/h1-16H,17H2/b27-15-,28-25+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
KLE University Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 24: 5324-9 (2015) Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH
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