Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50120573'   

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))	BDBM50120573 ((S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phen...) Show SMILES CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 1 of human whole blood				Bioorg Med Chem Lett 15: 2259-63 (2005) Article DOI: 10.1016/j.bmcl.2005.03.009 BindingDB Entry DOI: 10.7270/Q2M32V8X
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50120573 ((S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phen...) Show SMILES CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory potency of the compound was determined against Prostaglandin G/H synthase 1 in human whole blood assay				Bioorg Med Chem Lett 12: 3317-20 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9VZ6
					More data for this Ligand-Target Pair