Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50524144'   

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 (Homo sapiens (Human))	BDBM50524144 (CHEMBL4532877) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CN1CCOCC1 Show InChI InChI=1S/C16H18N6O4S/c17-9-12-10-19-22(13-1-3-14(4-2-13)27(18,24)25)16(12)20-15(23)11-21-5-7-26-8-6-21/h1-4,10H,5-8,11H2,(H,20,23)(H2,18,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...				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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