Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50261642'   

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))	BDBM50261642 (CHEMBL4073566) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2ccc3ccccc3c2)c(C#N)c2CCCn12 Show InChI InChI=1S/C26H20N4O/c27-16-22-23-11-6-14-30(23)25(26(31)29-21-9-2-1-3-10-21)24(22)28-17-18-12-13-19-7-4-5-8-20(19)15-18/h1-5,7-10,12-13,15,17H,6,11,14H2,(H,29,31)/b28-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
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