Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.4 BDBM50236887

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))	BDBM50236887 (CHEMBL4082369) Show SMILES CN(C)Cc1cccc(c1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C16H19N3O4S/c1-18(2)11-14-4-3-5-15(10-14)24(22,23)19-9-8-13(12-19)6-7-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50236887 (CHEMBL4082369) Show SMILES CN(C)Cc1cccc(c1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C16H19N3O4S/c1-18(2)11-14-4-3-5-15(10-14)24(22,23)19-9-8-13(12-19)6-7-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair