Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.4 BDBM50085258

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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))	BDBM50085258 (2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)C2=NCCO2)cc1 |t:21| Show InChI InChI=1S/C21H24N2O3/c1-2-13-23(12-1)14-16-24-18-7-9-20(10-8-18)26-19-5-3-17(4-6-19)21-22-11-15-25-21/h3-10H,1-2,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	550	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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085258 (2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)C2=NCCO2)cc1 |t:21| Show InChI InChI=1S/C21H24N2O3/c1-2-13-23(12-1)14-16-24-18-7-9-20(10-8-18)26-19-5-3-17(4-6-19)21-22-11-15-25-21/h3-10H,1-2,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase				Eur J Med Chem 46: 1593-603 (2011) Article DOI: 10.1016/j.ejmech.2011.02.007 BindingDB Entry DOI: 10.7270/Q2K64JDG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085258 (2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)C2=NCCO2)cc1 |t:21| Show InChI InChI=1S/C21H24N2O3/c1-2-13-23(12-1)14-16-24-18-7-9-20(10-8-18)26-19-5-3-17(4-6-19)21-22-11-15-25-21/h3-10H,1-2,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	590	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