Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373608'   

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))	BDBM50373608 (CHEMBL270294) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(SCc2cccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H13F3N2O2S3/c1-27(23,24)13-6-4-11(5-7-13)16-21-14(17(18,19)20)9-15(22-16)26-10-12-3-2-8-25-12/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Faes Farma S.A. Curated by ChEMBL					Assay Description Inhibition of human COX2 in human whole blood				Bioorg Med Chem 16: 2183-99 (2008) Article DOI: 10.1016/j.bmc.2007.11.079 BindingDB Entry DOI: 10.7270/Q2GX4CDQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373608 (CHEMBL270294) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(SCc2cccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H13F3N2O2S3/c1-27(23,24)13-6-4-11(5-7-13)16-21-14(17(18,19)20)9-15(22-16)26-10-12-3-2-8-25-12/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.43E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50373608 (CHEMBL270294) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(SCc2cccs2)cc(n1)C(F)(F)F Show InChI InChI=1S/C17H13F3N2O2S3/c1-27(23,24)13-6-4-11(5-7-13)16-21-14(17(18,19)20)9-15(22-16)26-10-12-3-2-8-25-12/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.44E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 in Homo sapiens (human) whole blood				Citation and Details Article DOI: 10.1007/s00044-011-9566-8 BindingDB Entry DOI: 10.7270/Q2Q81GZM
					More data for this Ligand-Target Pair