Compile Data Set for Download or QSAR
Found 3887 Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2'
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100535(CHEMBL3327073)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H24F7N3O2/c1-3-12(2)16(31)30-10-8-15(9-11-30)29-17(32)28-14-6-4-13(5-7-14)18(21,19(22,23)24)20(25,26)27/h4-7,12,15H,3,8-11H2,1-2H3,(H2,28,29,32)
Affinity DataKi:  0.0200nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100528(CHEMBL3327081)
Show SMILES FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H17F10N3O2/c19-15(20,21)9-13(32)31-7-5-12(6-8-31)30-14(33)29-11-3-1-10(2-4-11)16(22,17(23,24)25)18(26,27)28/h1-4,12H,5-9H2,(H2,29,30,33)
Affinity DataKi: <0.0200nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409005(US10377744, Compound No. 26 | US11123311, Compound...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
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
In DepthDetails PubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409009(US10377744, Compound No. 30 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H18F7N3O3/c19-12-9-11(1-2-13(12)31-18(23,24)25)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)17(20,21)22/h1-2,9-10H,3-8H2,(H2,26,27,30)
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))
University of California Davis

Curated by ChEMBL
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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409005(US10377744, Compound No. 26 | US11123311, Compound...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM517699(US11123311, Compound 28)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H19F6N3O3/c19-17(20,21)16(7-8-16)14(28)27-9-5-12(6-10-27)26-15(29)25-11-1-3-13(4-2-11)30-18(22,23)24/h1-4,12H,5-10H2,(H2,25,26,29)
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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409009(US10377744, Compound No. 30 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H18F7N3O3/c19-12-9-11(1-2-13(12)31-18(23,24)25)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)17(20,21)22/h1-2,9-10H,3-8H2,(H2,26,27,30)
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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409005(US10377744, Compound No. 26 | US11123311, Compound...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409005(US10377744, Compound No. 26 | US11123311, Compound...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
Affinity DataKi: <0.0500nMAssay Description:Binding affinity to purified recombinant human sEH by FRET-displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409005(US10377744, Compound No. 26 | US11123311, Compound...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409007(US10377744, Compound No. 28)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H19F6N3O2/c19-17(20,21)11-1-3-12(4-2-11)25-15(29)26-13-5-9-27(10-6-13)14(28)16(7-8-16)18(22,23)24/h1-4,13H,5-10H2,(H2,25,26,29)
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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409009(US10377744, Compound No. 30 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H18F7N3O3/c19-12-9-11(1-2-13(12)31-18(23,24)25)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)17(20,21)22/h1-2,9-10H,3-8H2,(H2,26,27,30)
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))
University of California Davis

Curated by ChEMBL
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))
University of California Davis

Curated by ChEMBL
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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409030(US10377744, Compound No. 51 | US11123311, Compound...)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)
Affinity DataKi:  0.0600nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409030(US10377744, Compound No. 51 | US11123311, Compound...)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)
Affinity DataKi:  0.0600nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409016(US10377744, Compound No. 36 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1C(F)(F)F
Show InChI InChI=1S/C18H18F7N3O2/c19-13-9-11(1-2-12(13)17(20,21)22)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)18(23,24)25/h1-2,9-10H,3-8H2,(H2,26,27,30)
Affinity DataKi:  0.0800nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409016(US10377744, Compound No. 36 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1C(F)(F)F
Show InChI InChI=1S/C18H18F7N3O2/c19-13-9-11(1-2-12(13)17(20,21)22)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)18(23,24)25/h1-2,9-10H,3-8H2,(H2,26,27,30)
Affinity DataKi:  0.0800nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409016(US10377744, Compound No. 36 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1C(F)(F)F
Show InChI InChI=1S/C18H18F7N3O2/c19-13-9-11(1-2-12(13)17(20,21)22)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)18(23,24)25/h1-2,9-10H,3-8H2,(H2,26,27,30)
Affinity DataKi:  0.0800nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409003(US10377744, Compound No. 24 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
Affinity DataKi:  0.150nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409003(US10377744, Compound No. 24 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
Affinity DataKi:  0.150nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409003(US10377744, Compound No. 24 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
Affinity DataKi:  0.150nMAssay Description:Binding affinity to purified recombinant human sEH by FRET-displacement assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409003(US10377744, Compound No. 24 | US11123311, Compound...)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
Affinity DataKi:  0.150nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100521(CHEMBL3327078 | US10377744, Compound No. 2696)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1
Affinity DataKi:  0.190nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100521(CHEMBL3327078 | US10377744, Compound No. 2696)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1
Affinity DataKi:  0.190nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100519(CHEMBL3327067 | US10377744, Compound No. 2391)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1
Affinity DataKi:  0.220nMAssay 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
In DepthDetails PubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50554114(CHEMBL4781745)
Show SMILES Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-12-8-11-28-16(12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
Affinity DataKi:  0.220nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100519(CHEMBL3327067 | US10377744, Compound No. 2391)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1
Affinity DataKi:  0.220nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408992(US10377744, Compound No. 13 | US10377744, Compound...)
Show SMILES Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-12-16(8-11-28-12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
Affinity DataKi:  0.220nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100519(CHEMBL3327067 | US10377744, Compound No. 2391)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1
Affinity DataKi:  0.220nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408992(US10377744, Compound No. 13 | US10377744, Compound...)
Show SMILES Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-12-16(8-11-28-12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
Affinity DataKi:  0.220nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100531(CHEMBL3325465)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)N[C@H]1CC[C@H](CC)CC1
Show InChI InChI=1S/C19H35N3O2/c1-4-14(3)18(23)22-12-10-17(11-13-22)21-19(24)20-16-8-6-15(5-2)7-9-16/h14-17H,4-13H2,1-3H3,(H2,20,21,24)/t14?,15-,16-
Affinity DataKi:  0.230nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408986(US10377744, Compound No. 7 | US11123311, Compound ...)
Show SMILES Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)
Affinity DataKi:  0.260nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408986(US10377744, Compound No. 7 | US11123311, Compound ...)
Show SMILES Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)
Affinity DataKi:  0.260nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408986(US10377744, Compound No. 7 | US11123311, Compound ...)
Show SMILES Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)
Affinity DataKi:  0.260nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408998(US10377744, Compound No. 19 | US11123311, Compound...)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)
Affinity DataKi:  0.310nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408998(US10377744, Compound No. 19 | US11123311, Compound...)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)
Affinity DataKi:  0.310nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100520(CHEMBL3327077 | US10377744, Compound No. 2422 | US...)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)
Affinity DataKi:  0.310nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100520(CHEMBL3327077 | US10377744, Compound No. 2422 | US...)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)
Affinity DataKi:  0.310nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408998(US10377744, Compound No. 19 | US11123311, Compound...)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)
Affinity DataKi:  0.310nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100520(CHEMBL3327077 | US10377744, Compound No. 2422 | US...)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)
Affinity DataKi:  0.310nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408998(US10377744, Compound No. 19 | US11123311, Compound...)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)
Affinity DataKi:  0.310nMAssay Description:Binding affinity to purified recombinant human sEH by FRET-displacement assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408982(US10377744, Compound No. 3 | US11123311, Compound ...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1
Show InChI InChI=1S/C18H18F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,7,10-11,14H,5-6,8-9H2,(H2,22,23,26)
Affinity DataKi:  0.330nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408982(US10377744, Compound No. 3 | US11123311, Compound ...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1
Show InChI InChI=1S/C18H18F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,7,10-11,14H,5-6,8-9H2,(H2,22,23,26)
Affinity DataKi:  0.330nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM408982(US10377744, Compound No. 3 | US11123311, Compound ...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1
Show InChI InChI=1S/C18H18F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,7,10-11,14H,5-6,8-9H2,(H2,22,23,26)
Affinity DataKi:  0.330nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100534(CHEMBL3327074)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)
Affinity DataKi:  0.360nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409014(US10377744, Compound No. 34 | US10377744, Syn34 | ...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H23F4N3O2/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-14(15(19)10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
Affinity DataKi:  0.370nMAssay 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))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM409014(US10377744, Compound No. 34 | US10377744, Syn34 | ...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H23F4N3O2/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-14(15(19)10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
Affinity DataKi:  0.370nMAssay 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California Davis

Curated by ChEMBL
LigandPNGBDBM50100541(CHEMBL3327066)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)
Affinity DataKi:  0.370nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assayMore data for this Ligand-Target Pair
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