Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 291.4 BDBM50085244

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))	BDBM50085244 (1-[3-(4-Benzyl-phenyl)-cyclobutyl]-pyrrolidine | C...) Show SMILES C(c1ccccc1)c1ccc(cc1)C1C[C@@H](C1)N1CCCC1 |wU:15.19,(5.75,-16.33,;4.44,-17.11,;3.09,-16.34,;1.78,-17.11,;1.78,-18.65,;3.09,-19.42,;4.44,-18.65,;7.1,-17.08,;7.1,-18.62,;8.44,-19.39,;9.76,-18.62,;9.75,-17.07,;8.42,-16.31,;11.1,-19.38,;11.52,-20.85,;12.99,-20.45,;12.59,-18.96,;14.34,-21.22,;15.54,-20.28,;16.82,-21.15,;16.37,-22.63,;14.83,-22.66,)| Show InChI InChI=1S/C21H25N/c1-2-6-17(7-3-1)14-18-8-10-19(11-9-18)20-15-21(16-20)22-12-4-5-13-22/h1-3,6-11,20-21H,4-5,12-16H2/t20?,21-	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	370	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))	BDBM50085244 (1-[3-(4-Benzyl-phenyl)-cyclobutyl]-pyrrolidine | C...) Show SMILES C(c1ccccc1)c1ccc(cc1)C1C[C@@H](C1)N1CCCC1 |wU:15.19,(5.75,-16.33,;4.44,-17.11,;3.09,-16.34,;1.78,-17.11,;1.78,-18.65,;3.09,-19.42,;4.44,-18.65,;7.1,-17.08,;7.1,-18.62,;8.44,-19.39,;9.76,-18.62,;9.75,-17.07,;8.42,-16.31,;11.1,-19.38,;11.52,-20.85,;12.99,-20.45,;12.59,-18.96,;14.34,-21.22,;15.54,-20.28,;16.82,-21.15,;16.37,-22.63,;14.83,-22.66,)| Show InChI InChI=1S/C21H25N/c1-2-6-17(7-3-1)14-18-8-10-19(11-9-18)20-15-21(16-20)22-12-4-5-13-22/h1-3,6-11,20-21H,4-5,12-16H2/t20?,21-	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	510	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