Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50100404'   

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 2 (Homo sapiens (Human))	BDBM50100404 ((4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(4-naphtha...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nc(cs3)-c3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C31H23ClN2O2S/c1-19-26(17-30-33-28(18-37-30)23-8-7-20-5-3-4-6-22(20)15-23)27-16-25(36-2)13-14-29(27)34(19)31(35)21-9-11-24(32)12-10-21/h3-16,18H,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)				Bioorg Med Chem Lett 11: 1325-8 (2001) BindingDB Entry DOI: 10.7270/Q2PG1R1K
					More data for this Ligand-Target Pair