Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.5 BDBM50251627

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))	BDBM50251627 (4-((methyl(3-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...) Show SMILES CN(CCCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H27N3O4/c1-30(19-20-3-5-22(6-4-20)27(31)32)17-2-15-28-23-9-13-25(14-10-23)34-24-11-7-21(8-12-24)26-29-16-18-33-26/h3-14,16,18,28H,2,15,17,19H2,1H3,(H,31,32)	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	3	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))	BDBM50251627 (4-((methyl(3-(4-(4-(oxazol-2-yl)phenoxy)phenylamin...) Show SMILES CN(CCCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H27N3O4/c1-30(19-20-3-5-22(6-4-20)27(31)32)17-2-15-28-23-9-13-25(14-10-23)34-24-11-7-21(8-12-24)26-29-16-18-33-26/h3-14,16,18,28H,2,15,17,19H2,1H3,(H,31,32)	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	18	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