Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50075664'   

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))	BDBM50075664 (2-(3,5-Difluoro-phenyl)-3-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cc(F)cc(F)c1 |t:11| Show InChI InChI=1S/C18H14F2O3S/c1-24(22,23)15-4-2-11(3-5-15)16-6-7-17(21)18(16)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	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 potency against human Prostaglandin G/H synthase 2 in transfected CHO cells.				J Med Chem 42: 1274-81 (1999) Article DOI: 10.1021/jm980642l BindingDB Entry DOI: 10.7270/Q21V5FNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50075664 (2-(3,5-Difluoro-phenyl)-3-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cc(F)cc(F)c1 |t:11| Show InChI InChI=1S/C18H14F2O3S/c1-24(22,23)15-4-2-11(3-5-15)16-6-7-17(21)18(16)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
The M.S University of Baroda Curated by ChEMBL					Assay Description Inhibition of COX-2 in human whole blood				Eur J Med Chem 162: 1-17 (2019) Article DOI: 10.1016/j.ejmech.2018.10.054 BindingDB Entry DOI: 10.7270/Q2FX7DSW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50075664 (2-(3,5-Difluoro-phenyl)-3-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)CC1)c1cc(F)cc(F)c1 |t:11| Show InChI InChI=1S/C18H14F2O3S/c1-24(22,23)15-4-2-11(3-5-15)16-6-7-17(21)18(16)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	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 potency against human Prostaglandin G/H synthase 2 in the human whole blood assay.				J Med Chem 42: 1274-81 (1999) Article DOI: 10.1021/jm980642l BindingDB Entry DOI: 10.7270/Q21V5FNB
					More data for this Ligand-Target Pair