Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.4 BDBM50116536

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))	BDBM50116536 (3-({3-[4-(4-Fluoro-benzyl)-phenoxy]-propyl}-methyl...) Show SMILES CN(CCCOc1ccc(Cc2ccc(F)cc2)cc1)CCC(O)=O Show InChI InChI=1S/C20H24FNO3/c1-22(13-11-20(23)24)12-2-14-25-19-9-5-17(6-10-19)15-16-3-7-18(21)8-4-16/h3-10H,2,11-15H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31	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))	BDBM50116536 (3-({3-[4-(4-Fluoro-benzyl)-phenoxy]-propyl}-methyl...) Show SMILES CN(CCCOc1ccc(Cc2ccc(F)cc2)cc1)CCC(O)=O Show InChI InChI=1S/C20H24FNO3/c1-22(13-11-20(23)24)12-2-14-25-19-9-5-17(6-10-19)15-16-3-7-18(21)8-4-16/h3-10H,2,11-15H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	190	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