Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50102309'   

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))	BDBM50102309 (3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-7...) Show SMILES Cc1ccnc2c(c(nn12)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16FN3O2S/c1-13-11-12-22-20-18(14-3-7-16(21)8-4-14)19(23-24(13)20)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía. S.A. Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells				J Med Chem 44: 350-61 (2001) BindingDB Entry DOI: 10.7270/Q29W0DSN
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