Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 315.8 BDBM50085305

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))	BDBM50085305 (1-{2-[4-(3-Chloro-benzyl)-phenoxy]-ethyl}-pyrrolid...) Show SMILES Clc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C19H22ClNO/c20-18-5-3-4-17(15-18)14-16-6-8-19(9-7-16)22-13-12-21-10-1-2-11-21/h3-9,15H,1-2,10-14H2	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	80	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))	BDBM50085305 (1-{2-[4-(3-Chloro-benzyl)-phenoxy]-ethyl}-pyrrolid...) Show SMILES Clc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C19H22ClNO/c20-18-5-3-4-17(15-18)14-16-6-8-19(9-7-16)22-13-12-21-10-1-2-11-21/h3-9,15H,1-2,10-14H2	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	160	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