Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50229316'   

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 (Ovis aries (Sheep))	BDBM50229316 ((3S,5R)-5-(ethylthiomethyl)-3-hydroxy-3-(1-tosyl-1...) Show SMILES CCSC[C@H]1C[C@@](O)(C(=O)O1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H23NO5S2/c1-3-29-14-16-12-22(25,21(24)28-16)19-13-23(20-7-5-4-6-18(19)20)30(26,27)17-10-8-15(2)9-11-17/h4-11,13,16,25H,3,12,14H2,1-2H3/t16-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 18: 85-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.010 BindingDB Entry DOI: 10.7270/Q21C1WNC
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