Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM409020'
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409020(US10377744, Compound No. 40 | US11123311, Compound...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)
Affinity DataKi: <0.0500nMAssay Description:FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409020(US10377744, Compound No. 40 | US11123311, Compound...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)
Affinity DataKi: <0.0500nMAssay Description:Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409020(US10377744, Compound No. 40 | US11123311, Compound...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)
Affinity DataKi: <0.0500nMAssay Description:Any of a number of standard assays for determining epoxide hydrolase activity can be used to determine inhibition of sEH. For example, suitable assay...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid