Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.3 BDBM50303170

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
Lipoxygenase (Solanum tuberosum (potato))	BDBM50303170 (CHEMBL579022 | N-Acetyl-5-(N-difluoromethyl-1,2-di...) Show SMILES CC(=O)NS(=O)(=O)c1cc(ccc1C(O)=O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C15H12F2N2O6S/c1-8(20)18-26(24,25)12-6-9(2-3-11(12)14(22)23)10-4-5-19(15(16)17)13(21)7-10/h2-7,15H,1H3,(H,18,20)(H,22,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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 2 (Homo sapiens (Human))	BDBM50303170 (CHEMBL579022 | N-Acetyl-5-(N-difluoromethyl-1,2-di...) Show SMILES CC(=O)NS(=O)(=O)c1cc(ccc1C(O)=O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C15H12F2N2O6S/c1-8(20)18-26(24,25)12-6-9(2-3-11(12)14(22)23)10-4-5-19(15(16)17)13(21)7-10/h2-7,15H,1H3,(H,18,20)(H,22,23)	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	2.60E+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
Prostaglandin G/H synthase 1 (Bos taurus)	BDBM50303170 (CHEMBL579022 | N-Acetyl-5-(N-difluoromethyl-1,2-di...) Show SMILES CC(=O)NS(=O)(=O)c1cc(ccc1C(O)=O)-c1ccn(C(F)F)c(=O)c1 Show InChI InChI=1S/C15H12F2N2O6S/c1-8(20)18-26(24,25)12-6-9(2-3-11(12)14(22)23)10-4-5-19(15(16)17)13(21)7-10/h2-7,15H,1H3,(H,18,20)(H,22,23)	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