Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.5 BDBM50251803

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))	BDBM50251803 (CHEMBL481691 | endo-4-((3-(4-(4-methoxyphenoxy)phe...) Show SMILES COc1ccc(Oc2ccc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccc(cc3)C(O)=O)cc2)cc1 |r,THB:20:19:13.12.18:15.16| Show InChI InChI=1S/C28H30N2O4/c1-33-25-12-14-27(15-13-25)34-26-10-6-21(7-11-26)29-22-16-23-8-9-24(17-22)30(23)18-19-2-4-20(5-3-19)28(31)32/h2-7,10-15,22-24,29H,8-9,16-18H2,1H3,(H,31,32)/t22-,23+,24-	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	23	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))	BDBM50251803 (CHEMBL481691 | endo-4-((3-(4-(4-methoxyphenoxy)phe...) Show SMILES COc1ccc(Oc2ccc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccc(cc3)C(O)=O)cc2)cc1 |r,THB:20:19:13.12.18:15.16| Show InChI InChI=1S/C28H30N2O4/c1-33-25-12-14-27(15-13-25)34-26-10-6-21(7-11-26)29-22-16-23-8-9-24(17-22)30(23)18-19-2-4-20(5-3-19)28(31)32/h2-7,10-15,22-24,29H,8-9,16-18H2,1H3,(H,31,32)/t22-,23+,24-	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	170	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