Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 355.4 BDBM50116556

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))	BDBM50116556 (CHEMBL119422 | {[4-(4-Benzyl-phenoxy)-butyl]-methy...) Show SMILES CCOC(=O)CN(C)CCCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C22H29NO3/c1-3-25-22(24)18-23(2)15-7-8-16-26-21-13-11-20(12-14-21)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	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))	BDBM50116556 (CHEMBL119422 | {[4-(4-Benzyl-phenoxy)-butyl]-methy...) Show SMILES CCOC(=O)CN(C)CCCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C22H29NO3/c1-3-25-22(24)18-23(2)15-7-8-16-26-21-13-11-20(12-14-21)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+3	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