Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50236980'   

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))	BDBM50236980 (CHEMBL4097499) Show SMILES O=C(Oc1ccccc1)c1c2CCCCc2sc1-c1ccccc1 Show InChI InChI=1S/C21H18O2S/c22-21(23-16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)24-20(19)15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
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