Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50332340'   

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))	BDBM50332340 (3-(4-(methylsulfonyl)phenyl)-5-phenyl-4,5-dihydro-...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(N)=S |t:11| Show InChI InChI=1S/C17H17N3O2S2/c1-24(21,22)14-9-7-12(8-10-14)15-11-16(20(19-15)17(18)23)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,23)	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	5.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in baculovirus infected SF21 cell				Eur J Med Chem 45: 6135-8 (2010) Article DOI: 10.1016/j.ejmech.2010.10.005 BindingDB Entry DOI: 10.7270/Q2PV6KMT
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