Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.2 BDBM50303171

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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))	BDBM50303171 (4-(N-Difluoromethyl-1,2-dihydropyrid-2-one-4-yl)sa...) Show SMILES OC(=O)c1ccc(cc1O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C13H9F2NO4/c14-13(15)16-4-3-8(6-11(16)18)7-1-2-9(12(19)20)10(17)5-7/h1-6,13,17H,(H,19,20)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 by enzyme immuno assay				Bioorg Med Chem Lett 19: 6855-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.083 BindingDB Entry DOI: 10.7270/Q2D79CB6
					More data for this Ligand-Target Pair
Lipoxygenase (Solanum tuberosum (potato))	BDBM50303171 (4-(N-Difluoromethyl-1,2-dihydropyrid-2-one-4-yl)sa...) Show SMILES OC(=O)c1ccc(cc1O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C13H9F2NO4/c14-13(15)16-4-3-8(6-11(16)18)7-1-2-9(12(19)20)10(17)5-7/h1-6,13,17H,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay				Bioorg Med Chem Lett 19: 6855-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.083 BindingDB Entry DOI: 10.7270/Q2D79CB6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Bos taurus)	BDBM50303171 (4-(N-Difluoromethyl-1,2-dihydropyrid-2-one-4-yl)sa...) Show SMILES OC(=O)c1ccc(cc1O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C13H9F2NO4/c14-13(15)16-4-3-8(6-11(16)18)7-1-2-9(12(19)20)10(17)5-7/h1-6,13,17H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of bovine COX-1 by enzyme immuno assay				Bioorg Med Chem Lett 19: 6855-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.083 BindingDB Entry DOI: 10.7270/Q2D79CB6
					More data for this Ligand-Target Pair