Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 334.3 BDBM50531253

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))	BDBM50531253 (CHEMBL4437635) Show SMILES Nc1nc(cs1)-c1ccc(Cc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C17H13F3N2S/c18-17(19,20)14-4-2-1-3-13(14)9-11-5-7-12(8-6-11)15-10-23-16(21)22-15/h1-8,10H,9H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.35E+3	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))	BDBM50531253 (CHEMBL4437635) Show SMILES Nc1nc(cs1)-c1ccc(Cc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C17H13F3N2S/c18-17(19,20)14-4-2-1-3-13(14)9-11-5-7-12(8-6-11)15-10-23-16(21)22-15/h1-8,10H,9H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.35E+3	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