Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50504643'   

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))	BDBM50504643 (CHEMBL4452428) Show SMILES Brc1ccc(NC(=O)c2c(\N=C\c3ccccc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C22H17BrN4O/c23-16-8-10-17(11-9-16)26-22(28)21-20(25-14-15-5-2-1-3-6-15)18(13-24)19-7-4-12-27(19)21/h1-3,5-6,8-11,14H,4,7,12H2,(H,26,28)/b25-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX1 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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