Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.4 BDBM50251454

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

Found 2 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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50251454 (4-((4-(4-phenoxyphenylamino)piperidin-1-yl)methyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C25H26N2O3/c28-25(29)20-8-6-19(7-9-20)18-27-16-14-22(15-17-27)26-21-10-12-24(13-11-21)30-23-4-2-1-3-5-23/h1-13,22,26H,14-18H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase (unknown origin)				Bioorg Med Chem Lett 18: 3895-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.041 BindingDB Entry DOI: 10.7270/Q2GQ6XK8
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50251454 (4-((4-(4-phenoxyphenylamino)piperidin-1-yl)methyl)...) Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C25H26N2O3/c28-25(29)20-8-6-19(7-9-20)18-27-16-14-22(15-17-27)26-21-10-12-24(13-11-21)30-23-4-2-1-3-5-23/h1-13,22,26H,14-18H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in human whole blood				Bioorg Med Chem Lett 18: 3895-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.041 BindingDB Entry DOI: 10.7270/Q2GQ6XK8
					More data for this Ligand-Target Pair