Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 296.3 BDBM50531252

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))	BDBM50531252 (CHEMBL4476527) Show SMILES COc1ccc(Cc2ccc(cc2)-c2csc(N)n2)cc1 Show InChI InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/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 PDB UniChem	PDB Article PubMed	n/a	n/a	1.39E+4	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				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50531252 (CHEMBL4476527) Show SMILES COc1ccc(Cc2ccc(cc2)-c2csc(N)n2)cc1 Show InChI InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/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 PDB UniChem	PDB Article PubMed	n/a	n/a	1.39E+4	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				3D Structure (crystal)