Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50272677'   

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))	BDBM50272677 (2-[4-(Thiophene-2-carbonyl)-phenyl]-propionic acid...) Show SMILES CC(C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c1ccc(cc1)C(=O)c1cccs1 Show InChI InChI=1S/C17H16N2O9S/c1-11(17(21)26-9-14(28-19(24)25)10-27-18(22)23)12-4-6-13(7-5-12)16(20)15-3-2-8-29-15/h2-8,11,14H,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood				Bioorg Med Chem Lett 18: 4655-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.018 BindingDB Entry DOI: 10.7270/Q2G73DH6
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