Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50524152'   

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))	BDBM50524152 (CHEMBL4572657) Show SMILES COc1ccc(\C=N\c2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C#N)cc1OC Show InChI InChI=1S/C19H17N5O4S/c1-27-17-8-3-13(9-18(17)28-2)11-22-19-14(10-20)12-23-24(19)15-4-6-16(7-5-15)29(21,25)26/h3-9,11-12H,1-2H3,(H2,21,25,26)/b22-11+	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	44	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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