Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.3 BDBM50541959

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541959 (CHEMBL4649188) Show SMILES FC(F)(F)c1coc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)n1 Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)17-13-28-19(24-17)25-18(26)11-8-14-6-9-16(10-7-14)27-12-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11-12H2,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541959 (CHEMBL4649188) Show SMILES FC(F)(F)c1coc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)n1 Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)17-13-28-19(24-17)25-18(26)11-8-14-6-9-16(10-7-14)27-12-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11-12H2,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01803 BindingDB Entry DOI: 10.7270/Q2KD22XQ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541959 (CHEMBL4649188) Show SMILES FC(F)(F)c1coc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)n1 Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)17-13-28-19(24-17)25-18(26)11-8-14-6-9-16(10-7-14)27-12-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11-12H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020) Article DOI: 10.1021/acsmedchemlett.0c00102 BindingDB Entry DOI: 10.7270/Q2FB56H6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50541959 (CHEMBL4649188) Show SMILES FC(F)(F)c1coc(NC(=O)CCc2ccc(OCc3ccccc3)cc2)n1 Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)17-13-28-19(24-17)25-18(26)11-8-14-6-9-16(10-7-14)27-12-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11-12H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01803 BindingDB Entry DOI: 10.7270/Q2KD22XQ
					More data for this Ligand-Target Pair