Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50332343'   

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))	BDBM50332343 (1-(3-(4-(methylsulfonyl)phenyl)-5-(4-(trifluoromet...) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H17F3N2O3S/c1-12(25)24-18(14-3-7-15(8-4-14)19(20,21)22)11-17(23-24)13-5-9-16(10-6-13)28(2,26)27/h3-10,18H,11H2,1-2H3	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	1.98E+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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