Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 342.4 BDBM50116543

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

Found 3 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))	BDBM50116543 (3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl...) Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2cccnc2)cc1 Show InChI InChI=1S/C20H26N2O3/c1-22(13-10-20(23)24-2)12-4-14-25-19-8-6-17(7-9-19)15-18-5-3-11-21-16-18/h3,5-9,11,16H,4,10,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human whole blood LTB-4 production (Leukotriene B-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116543 (3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl...) Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2cccnc2)cc1 Show InChI InChI=1S/C20H26N2O3/c1-22(13-10-20(23)24-2)12-4-14-25-19-8-6-17(7-9-19)15-18-5-3-11-21-16-18/h3,5-9,11,16H,4,10,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116543 (3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl...) Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2cccnc2)cc1 Show InChI InChI=1S/C20H26N2O3/c1-22(13-10-20(23)24-2)12-4-14-25-19-8-6-17(7-9-19)15-18-5-3-11-21-16-18/h3,5-9,11,16H,4,10,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase				Eur J Med Chem 46: 1593-603 (2011) Article DOI: 10.1016/j.ejmech.2011.02.007 BindingDB Entry DOI: 10.7270/Q2K64JDG
					More data for this Ligand-Target Pair