Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4 BDBM50511331

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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50511331 (CHEMBL4440564) Show SMILES Fc1ccc(CCNC(=O)CCc2ccc(OCc3ccncc3)cc2)cc1 Show InChI InChI=1S/C23H23FN2O2/c24-21-6-1-19(2-7-21)13-16-26-23(27)10-5-18-3-8-22(9-4-18)28-17-20-11-14-25-15-12-20/h1-4,6-9,11-12,14-15H,5,10,13,16-17H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of full length human soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as ...				ACS Med Chem Lett 11: 298-302 (2020) Article DOI: 10.1021/acsmedchemlett.9b00330 BindingDB Entry DOI: 10.7270/Q2M3303Q
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50511331 (CHEMBL4440564) Show SMILES Fc1ccc(CCNC(=O)CCc2ccc(OCc3ccncc3)cc2)cc1 Show InChI InChI=1S/C23H23FN2O2/c24-21-6-1-19(2-7-21)13-16-26-23(27)10-5-18-3-8-22(9-4-18)28-17-20-11-14-25-15-12-20/h1-4,6-9,11-12,14-15H,5,10,13,16-17H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of (His)6 tagged human recombinant LTA4H expressed in Escherichia coli BL21(DE3) using non-fluorescent L-arginine-7-amino-4-methylcoumarin...				ACS Med Chem Lett 11: 298-302 (2020) Article DOI: 10.1021/acsmedchemlett.9b00330 BindingDB Entry DOI: 10.7270/Q2M3303Q
					More data for this Ligand-Target Pair