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4 similar compounds to monomer 50327846

Compile data set for download or QSAR
Wt: 345.3
BDBM25744
Purchase
Wt: 371.3
BDBM50305607
Wt: 399.2
BDBM50327847
Wt: 359.3
BDBM50327809
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 25744,50305607,50327847,50327809   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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US Patent
0.910n/an/an/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay 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...


US Patent US11123311 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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0.910n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay 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-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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0.910n/an/an/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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0.910n/an/an/an/an/an/an/an/a



EicOsis Human Health Inc.

Curated by ChEMBL


Assay Description
Binding affinity to purified recombinant human sEH by FRET-displacement assay


J Med Chem 64: 1856-1872 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 2.80n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327847
PNG
(1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H15F6N3O3/c16-14(17,18)12(25)24-7-5-10(6-8-24)23-13(26)22-9-1-3-11(4-2-9)27-15(19,20)21/h1-4,10H,5-8H2,(H2,22,23,26)
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n/an/a 0.400n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 29n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 79n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50305607
PNG
(CHEMBL592257 | N-(4-(trifluoromethoxy)phenyl)-1,4'...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C18H24F3N3O2/c19-18(20,21)26-16-6-4-14(5-7-16)22-17(25)24-12-8-15(9-13-24)23-10-2-1-3-11-23/h4-7,15H,1-3,8-13H2,(H,22,25)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


Bioorg Med Chem Lett 20: 571-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.091
BindingDB Entry DOI: 10.7270/Q23R0SZ6
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 3.70n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327847
PNG
(1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H15F6N3O3/c16-14(17,18)12(25)24-7-5-10(6-8-24)23-13(26)22-9-1-3-11(4-2-9)27-15(19,20)21/h1-4,10H,5-8H2,(H2,22,23,26)
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n/an/a 0.400n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327847
PNG
(1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H15F6N3O3/c16-14(17,18)12(25)24-7-5-10(6-8-24)23-13(26)22-9-1-3-11(4-2-9)27-15(19,20)21/h1-4,10H,5-8H2,(H2,22,23,26)
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n/an/a 0.400n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 2.80n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 12n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 21: 983-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 59n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET


Bioorg Med Chem Lett 21: 983-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 3.70n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...


Bioorg Med Chem Lett 23: 3732-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.011
BindingDB Entry DOI: 10.7270/Q2057HBP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase


(Equus caballus (Horse))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Soluble Epoxide Hydrolase


(Sus scrofa (Pig))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 201n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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US Patent
n/an/a 480n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Soluble Epoxide Hydrolase


(Canis lupus familiaris (Dog) (Canis familiaris))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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US Patent
n/an/a 9.30E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Equus caballus (Horse))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 68n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase


(Ovis aries (Sheep))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 44n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Felis catus (Cat) (Felis silvestris catus))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 400n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 13n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327847
PNG
(1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H15F6N3O3/c16-14(17,18)12(25)24-7-5-10(6-8-24)23-13(26)22-9-1-3-11(4-2-9)27-15(19,20)21/h1-4,10H,5-8H2,(H2,22,23,26)
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n/an/a 0.400n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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US Patent
n/an/a 3.70n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50327847
PNG
(1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H15F6N3O3/c16-14(17,18)12(25)24-7-5-10(6-8-24)23-13(26)22-9-1-3-11(4-2-9)27-15(19,20)21/h1-4,10H,5-8H2,(H2,22,23,26)
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n/an/a 0.400n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.


US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 3.16E+4n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM25744
PNG
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 11.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.


US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair