Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 329.4 BDBM50085300

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))	BDBM50085300 (1-[2-(4-Phenylmethanesulfinyl-phenoxy)-ethyl]-pyrr...) Show SMILES O=S(Cc1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23NO2S/c21-23(16-17-6-2-1-3-7-17)19-10-8-18(9-11-19)22-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2	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	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085300 (1-[2-(4-Phenylmethanesulfinyl-phenoxy)-ethyl]-pyrr...) Show SMILES O=S(Cc1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23NO2S/c21-23(16-17-6-2-1-3-7-17)19-10-8-18(9-11-19)22-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2	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	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined for LTB4 production in human whole blood.				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair