Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50504648'   

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))	BDBM50504648 (CHEMBL4547592) Show SMILES CC\C=N\c1c(C#N)c2CCCCn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H20N4O/c1-2-11-21-17-15(13-20)16-10-6-7-12-23(16)18(17)19(24)22-14-8-4-3-5-9-14/h3-5,8-9,11H,2,6-7,10,12H2,1H3,(H,22,24)/b21-11+	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	7.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX2 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780 BindingDB Entry DOI: 10.7270/Q2B27ZJT
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