Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50320704'   

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))	BDBM50320704 (5-Benzoyl-8-methanesulfonyl-2,3,4,5-tetrahydro-1Hp...) Show SMILES CS(=O)(=O)c1ccc2n(C(=O)c3ccccc3)c3CCNCc3c2c1 Show InChI InChI=1S/C19H18N2O3S/c1-25(23,24)14-7-8-17-15(11-14)16-12-20-10-9-18(16)21(17)19(22)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
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