Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50504647'   

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))	BDBM50504647 (CHEMBL4466133) Show SMILES CCC1SCC(=O)N1c1c(C#N)c2CCCn2c1C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C21H22N4O2S/c1-3-18-25(17(26)12-28-18)19-15(11-22)16-5-4-10-24(16)20(19)21(27)23-14-8-6-13(2)7-9-14/h6-9,18H,3-5,10,12H2,1-2H3,(H,23,27)	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
					More data for this Ligand-Target Pair