Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50258494'   

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))	BDBM50258494 (1,3-bis(nitrooxy)propan-2-yl 2-(1-(4-chlorobenzoyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OC(CO[N+]([O-])=O)CO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C22H20ClN3O10/c1-13-18(10-21(27)36-17(11-34-25(29)30)12-35-26(31)32)19-9-16(33-2)7-8-20(19)24(13)22(28)14-3-5-15(23)6-4-14/h3-9,17H,10-12H2,1-2H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human COX2 by enzyme immunoassay				Bioorg Med Chem Lett 19: 3014-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.059 BindingDB Entry DOI: 10.7270/Q2CR5T81
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