Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50528483'   

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 1 (Ovis aries (Sheep))	BDBM50528483 (CHEMBL4448450) Show SMILES Clc1ccc(Cn2cc(C(=O)N\N=C\c3ccc(cc3)C#N)c3ccccc23)cc1 Show InChI InChI=1S/C24H17ClN4O/c25-20-11-9-19(10-12-20)15-29-16-22(21-3-1-2-4-23(21)29)24(30)28-27-14-18-7-5-17(13-26)6-8-18/h1-12,14,16H,15H2,(H,28,30)/b27-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pusan National University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...				Eur J Med Chem 180: 86-98 (2019) Article DOI: 10.1016/j.ejmech.2019.07.016 BindingDB Entry DOI: 10.7270/Q2T43XHG
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