Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 242.3 BDBM50068107Purchase

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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells using 7-amido-4-methylcoumarin as substrate...				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))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90E+4	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				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated with enzyme for 10 mins prior to substrate addition by fluorescence based a...				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				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged full-length human soluble epoxide hydrolase expressed in Escherichia coli BL21(DE3) cells pre-incubated for 15 m...				Bioorg Med Chem 23: 2310-7 (2015) Article DOI: 10.1016/j.bmc.2015.03.083 BindingDB Entry DOI: 10.7270/Q2DV1MKD
					More data for this Ligand-Target Pair				3D Structure (crystal)