Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.4 BDBM50116541

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))	BDBM50116541 (3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propy...) Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2ccsc2)cc1 Show InChI InChI=1S/C19H25NO3S/c1-20(11-8-19(21)22-2)10-3-12-23-18-6-4-16(5-7-18)14-17-9-13-24-15-17/h4-7,9,13,15H,3,8,10-12,14H2,1-2H3	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	250	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))	BDBM50116541 (3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propy...) Show SMILES COC(=O)CCN(C)CCCOc1ccc(Cc2ccsc2)cc1 Show InChI InChI=1S/C19H25NO3S/c1-20(11-8-19(21)22-2)10-3-12-23-18-6-4-16(5-7-18)14-17-9-13-24-15-17/h4-7,9,13,15H,3,8,10-12,14H2,1-2H3	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	870	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