Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50300790'   

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))	BDBM50300790 (CHEMBL567160 | O2-Acetoxymethyl-1-{2-[2-(4-(1-(4-a...) Show SMILES CC(=O)OCO\N=[N+](/[O-])N1CCC[C@H]1COC(=O)Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C26H27F3N6O8S/c1-17(36)42-16-43-32-35(38)33-12-2-3-21(33)15-41-25(37)13-18-4-6-19(7-5-18)23-14-24(26(27,28)29)31-34(23)20-8-10-22(11-9-20)44(30,39)40/h4-11,14,21H,2-3,12-13,15-16H2,1H3,(H2,30,39,40)/b35-32-/t21-/m0/s1	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	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay				Bioorg Med Chem 17: 5182-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.046 BindingDB Entry DOI: 10.7270/Q2DF6S5V
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