Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50524143'   

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))	BDBM50524143 (CHEMBL4562695) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CCCl Show InChI InChI=1S/C13H12ClN5O3S/c14-6-5-12(20)18-13-9(7-15)8-17-19(13)10-1-3-11(4-2-10)23(16,21)22/h1-4,8H,5-6H2,(H,18,20)(H2,16,21,22)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...				Eur J Med Chem 171: 332-342 (2019) Article DOI: 10.1016/j.ejmech.2019.03.052 BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
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