Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50235317'   

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))	BDBM50235317 (CHEMBL4080473) Show SMILES CN(C)c1ccc(CCNC(=O)c2nc3ccc(Cl)cc3c(O)c2C)cc1 Show InChI InChI=1S/C21H22ClN3O2/c1-13-19(24-18-9-6-15(22)12-17(18)20(13)26)21(27)23-11-10-14-4-7-16(8-5-14)25(2)3/h4-9,12H,10-11H2,1-3H3,(H,23,27)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al-Azhar University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by...				Eur J Med Chem 127: 972-985 (2017) Article DOI: 10.1016/j.ejmech.2016.11.006 BindingDB Entry DOI: 10.7270/Q2NC63G3
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