Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 296.3 BDBM50531254

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))	BDBM50531254 (CHEMBL4534106) Show SMILES COc1ccccc1Cc1ccc(cc1)-c1csc(N)n1 Show InChI InChI=1S/C17H16N2OS/c1-20-16-5-3-2-4-14(16)10-12-6-8-13(9-7-12)15-11-21-17(18)19-15/h2-9,11H,10H2,1H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Inhibition of of N-terminal (His)6 and Xpress-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in am...				J Med Chem 62: 10605-10616 (2019) Article DOI: 10.1021/acs.jmedchem.9b00663 BindingDB Entry DOI: 10.7270/Q2JQ14HK
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50531254 (CHEMBL4534106) Show SMILES COc1ccccc1Cc1ccc(cc1)-c1csc(N)n1 Show InChI InChI=1S/C17H16N2OS/c1-20-16-5-3-2-4-14(16)10-12-6-8-13(9-7-12)15-11-21-17(18)19-15/h2-9,11H,10H2,1H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Inhibition of of N-terminal (His)6 and Xpress-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in am...				J Med Chem 62: 10605-10616 (2019) Article DOI: 10.1021/acs.jmedchem.9b00663 BindingDB Entry DOI: 10.7270/Q2JQ14HK
					More data for this Ligand-Target Pair