Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50357364'   

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))	BDBM50357364 (CHEMBL1242095) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6](-[#6])=O)c1-[#8] Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in insect Sf21 cells assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for...				Bioorg Med Chem 19: 6340-7 (2011) Article DOI: 10.1016/j.bmc.2011.09.001 BindingDB Entry DOI: 10.7270/Q2RR1ZNH
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