Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.4 BDBM50085288

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))	BDBM50085288 (1-{2-[4-(Biphenyl-4-yloxy)-phenoxy]-ethyl}-pyrroli...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H25NO2/c1-2-6-20(7-3-1)21-8-10-23(11-9-21)27-24-14-12-22(13-15-24)26-19-18-25-16-4-5-17-25/h1-3,6-15H,4-5,16-19H2	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	6.60	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))	BDBM50085288 (1-{2-[4-(Biphenyl-4-yloxy)-phenoxy]-ethyl}-pyrroli...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H25NO2/c1-2-6-20(7-3-1)21-8-10-23(11-9-21)27-24-14-12-22(13-15-24)26-19-18-25-16-4-5-17-25/h1-3,6-15H,4-5,16-19H2	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	140	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