Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50512031'   

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))	BDBM50512031 (CHEMBL4532080) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccc(Cl)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19ClN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008 BindingDB Entry DOI: 10.7270/Q2K077MH
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