Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.4 BDBM22371

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

Found 4 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))	BDBM22371 (1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22371 (1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22371 (1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22371 (1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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					Assay Description The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair