Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.4 BDBM50085306

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))	BDBM50085306 (CHEMBL164168 | [2-(4-Benzyl-phenoxy)-ethyl]-diisop...) Show SMILES CC(C)N(CCOc1ccc(Cc2ccccc2)cc1)C(C)C Show InChI InChI=1S/C21H29NO/c1-17(2)22(18(3)4)14-15-23-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3	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	100	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))	BDBM50085306 (CHEMBL164168 | [2-(4-Benzyl-phenoxy)-ethyl]-diisop...) Show SMILES CC(C)N(CCOc1ccc(Cc2ccccc2)cc1)C(C)C Show InChI InChI=1S/C21H29NO/c1-17(2)22(18(3)4)14-15-23-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3	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	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