Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.6 BDBM50251839

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))	BDBM50251839 (CHEMBL480949 | endo-4-{3-[4-(Biphenyl-4-yloxy)-phe...) Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11| Show InChI InChI=1S/C33H32N2O3/c36-33(37)26-8-6-23(7-9-26)22-35-29-14-15-30(35)21-28(20-29)34-27-12-18-32(19-13-27)38-31-16-10-25(11-17-31)24-4-2-1-3-5-24/h1-13,16-19,28-30,34H,14-15,20-22H2,(H,36,37)/t28-,29+,30-	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	5	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))	BDBM50251839 (CHEMBL480949 | endo-4-{3-[4-(Biphenyl-4-yloxy)-phe...) Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11| Show InChI InChI=1S/C33H32N2O3/c36-33(37)26-8-6-23(7-9-26)22-35-29-14-15-30(35)21-28(20-29)34-27-12-18-32(19-13-27)38-31-16-10-25(11-17-31)24-4-2-1-3-5-24/h1-13,16-19,28-30,34H,14-15,20-22H2,(H,36,37)/t28-,29+,30-	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	25	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