Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.5 BDBM50251805

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))	BDBM50251805 (CHEMBL481171 | endo-4-((3-(4-(4-(1H-pyrrol-1-yl)ph...) Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-n3cccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11| Show InChI InChI=1S/C31H31N3O3/c35-31(36)23-5-3-22(4-6-23)21-34-27-9-10-28(34)20-25(19-27)32-24-7-13-29(14-8-24)37-30-15-11-26(12-16-30)33-17-1-2-18-33/h1-8,11-18,25,27-28,32H,9-10,19-21H2,(H,35,36)/t25-,27+,28-	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	4	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))	BDBM50251805 (CHEMBL481171 | endo-4-((3-(4-(4-(1H-pyrrol-1-yl)ph...) Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-n3cccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11| Show InChI InChI=1S/C31H31N3O3/c35-31(36)23-5-3-22(4-6-23)21-34-27-9-10-28(34)20-25(19-27)32-24-7-13-29(14-8-24)37-30-15-11-26(12-16-30)33-17-1-2-18-33/h1-8,11-18,25,27-28,32H,9-10,19-21H2,(H,35,36)/t25-,27+,28-	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	30	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