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Compile Data Set for Download or QSAR

Found 226 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Epoxide hydratase


(Mus musculus)
BDBM50046316
PNG
(2-Amino-3-(4-benzyloxy-phenyl)-propane-1-thiol | C...)
Show SMILES N[C@H](CS)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H19NOS/c17-15(12-19)10-13-6-8-16(9-7-13)18-11-14-4-2-1-3-5-14/h1-9,15,19H,10-12,17H2/t15-/m0/s1
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100n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant was determined against epoxide hydrolase


J Med Chem 36: 211-20 (1993)

More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50046314
PNG
(3-Amino-4-(4-benzyloxy-phenyl)-2-oxo-butyric acid ...)
Show SMILES N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H23NO4/c25-22(23(26)24(27)29-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)28-16-19-7-3-1-4-8-19/h1-14,22H,15-17,25H2/t22-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant was determined against epoxide hydrolase


J Med Chem 36: 211-20 (1993)

More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327846
PNG
(1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
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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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327849
PNG
(1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-8-6-14(7-9-16)23-18(26)24-15-10-12-25(13-11-15)30(27,28)17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,23,24,26)
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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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327850
PNG
(1-(1-Tosylpiperidin-4-yl)-3-(4-(trifluoromethoxy)p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N3O4S/c1-14-2-8-18(9-3-14)31(28,29)26-12-10-16(11-13-26)25-19(27)24-15-4-6-17(7-5-15)30-20(21,22)23/h2-9,16H,10-13H2,1H3,(H2,24,25,27)
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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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327843
PNG
(1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)u...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-2-20(25)24-14-12-17(13-15-24)23-21(26)22-16-8-10-19(11-9-16)27-18-6-4-3-5-7-18/h3-11,17H,2,12-15H2,1H3,(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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327842
PNG
(1-Octyl-3-(1-propionylpiperidin-4-yl)urea | CHEMBL...)
Show SMILES CCCCCCCCNC(=O)NC1CCN(CC1)C(=O)CC
Show InChI InChI=1S/C17H33N3O2/c1-3-5-6-7-8-9-12-18-17(22)19-15-10-13-20(14-11-15)16(21)4-2/h15H,3-14H2,1-2H3,(H2,18,19,22)
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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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327853
PNG
(1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-y...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2N3O2/c1-2-14(21)20-7-5-10(6-8-20)18-15(22)19-11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8H2,1H3,(H2,18,19,22)
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n/an/a 0.600n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327848
PNG
(1-(1-(Ethylsulfonyl)piperidin-4-yl)-3-(4-(trifluor...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H20F3N3O4S/c1-2-26(23,24)21-9-7-12(8-10-21)20-14(22)19-11-3-5-13(6-4-11)25-15(16,17)18/h3-6,12H,2,7-10H2,1H3,(H2,19,20,22)
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n/an/a 0.700n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327854
PNG
(1-(1-(6-Chloronicotinoyl)piperidin-4-yl)-3-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C19H18ClF3N4O3/c20-16-6-1-12(11-24-16)17(28)27-9-7-14(8-10-27)26-18(29)25-13-2-4-15(5-3-13)30-19(21,22)23/h1-6,11,14H,7-10H2,(H2,25,26,29)
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n/an/a 0.700n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327845
PNG
(1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiper...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F7N3O2/c1-2-14(29)28-9-7-13(8-10-28)27-15(30)26-12-5-3-11(4-6-12)16(19,17(20,21)22)18(23,24)25/h3-6,13H,2,7-10H2,1H3,(H2,26,27,30)
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n/an/a 0.700n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327810
PNG
(1-Cycloheptyl-3-(1-propionylpiperidin-4-yl)urea | ...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
Show InChI InChI=1S/C16H29N3O2/c1-2-15(20)19-11-9-14(10-12-19)18-16(21)17-13-7-5-3-4-6-8-13/h13-14H,2-12H2,1H3,(H2,17,18,21)
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n/an/a 0.900n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327844
PNG
(1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-y...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H19Cl2N3O2/c1-2-14(21)20-5-3-12(4-6-20)18-15(22)19-13-8-10(16)7-11(17)9-13/h7-9,12H,2-6H2,1H3,(H2,18,19,22)
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n/an/a 1n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50191887
PNG
(1-adamantan-1-yl-3-(1-propionyl-piperidin-4-yl)-ur...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H31N3O2/c1-2-17(23)22-5-3-16(4-6-22)20-18(24)21-19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16H,2-12H2,1H3,(H2,20,21,24)
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n/an/a 1.20n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327851
PNG
(1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-y...)
Show SMILES CC(=O)N1CCN(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H28F3N5O4/c1-15(30)28-12-10-27(11-13-28)14-19(31)29-8-6-17(7-9-29)26-20(32)25-16-2-4-18(5-3-16)33-21(22,23)24/h2-5,17H,6-14H2,1H3,(H2,25,26,32)
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n/an/a 1.20n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327855
PNG
(1-(1-Isonicotinoylpiperidin-4-yl)-3-(4-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccncc2)cc1
Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-3-1-14(2-4-16)24-18(28)25-15-7-11-26(12-8-15)17(27)13-5-9-23-10-6-13/h1-6,9-10,15H,7-8,11-12H2,(H2,24,25,28)
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n/an/a 1.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327818
PNG
(1-(4-Ethylphenyl)-3-(1-propionylpiperidin-4-yl)ure...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(CC)cc1
Show InChI InChI=1S/C17H25N3O2/c1-3-13-5-7-14(8-6-13)18-17(22)19-15-9-11-20(12-10-15)16(21)4-2/h5-8,15H,3-4,9-12H2,1-2H3,(H2,18,19,22)
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n/an/a 1.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327816
PNG
(1-(4-Iodophenyl)-3-(1-propionylpiperidin-4-yl)urea...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C15H20IN3O2/c1-2-14(20)19-9-7-13(8-10-19)18-15(21)17-12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3,(H2,17,18,21)
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n/an/a 1.40n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM25745
PNG
(3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
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n/an/a 2n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327811
PNG
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propio...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N3O2/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
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n/an/a 2.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327852
PNG
(1-(4-(Trifluoromethoxy)phenyl)-3-(1-(3,4,5-trihydr...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N3O6/c21-20(22,23)32-14-3-1-12(2-4-14)24-19(31)25-13-5-7-26(8-6-13)18(30)11-9-15(27)17(29)16(28)10-11/h1-4,9-10,13,27-29H,5-8H2,(H2,24,25,31)
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n/an/a 2.70n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM25738
PNG
(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50191854
PNG
(CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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n/an/a 3n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327857
PNG
(1-(4-Isopropylphenyl)-3-(1-propionylpiperidin-4-yl...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C18H27N3O2/c1-4-17(22)21-11-9-16(10-12-21)20-18(23)19-15-7-5-14(6-8-15)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H2,19,20,23)
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n/an/a 3.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327823
PNG
(1-Cyclohexyl-3-(1-propionylpiperidin-4-yl)urea | C...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C15H27N3O2/c1-2-14(19)18-10-8-13(9-11-18)17-15(20)16-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H2,16,17,20)
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n/an/a 3.5n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Epoxide hydratase


(Mus musculus)
BDBM50327812
PNG
(1-(Naphthalen-2-yl)-3-(1-propionylpiperidin-4-yl)u...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N3O2/c1-2-18(23)22-11-9-16(10-12-22)20-19(24)21-17-8-7-14-5-3-4-6-15(14)13-17/h3-8,13,16H,2,9-12H2,1H3,(H2,20,21,24)
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n/an/a 4.20n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327813
PNG
(1-(((Pyridin-2-yl)acetyl)piperidin-4-yl)-3-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)Cc2ccccn2)cc1
Show InChI InChI=1S/C20H21F3N4O3/c21-20(22,23)30-17-6-4-14(5-7-17)25-19(29)26-15-8-11-27(12-9-15)18(28)13-16-3-1-2-10-24-16/h1-7,10,15H,8-9,11-13H2,(H2,25,26,29)
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n/an/a 5n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327814
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethy...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H20F3N3O2/c1-2-14(23)22-9-7-13(8-10-22)21-15(24)20-12-5-3-11(4-6-12)16(17,18)19/h3-6,13H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 6.5n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327815
PNG
(1-(3-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)ur...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H20ClN3O2/c1-2-14(20)19-8-6-12(7-9-19)17-15(21)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,21)
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n/an/a 6.60n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse sEH


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327817
PNG
(1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperi...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H25N3O2/c1-2-17(22)21-10-8-14(9-11-21)19-18(23)20-16-12-15(16)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H2,19,20,23)/t15-,16+/m1/s1
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n/an/a 7.40n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50217448
PNG
(CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?
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n/an/a 8n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327820
PNG
(1-(4-Methoxyphenyl)-3-(1-propionylpiperidin-4-yl)u...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C16H23N3O3/c1-3-15(20)19-10-8-13(9-11-19)18-16(21)17-12-4-6-14(22-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3,(H2,17,18,21)
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n/an/a 8.70n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327819
PNG
(1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea | CHEM...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C16H23N3O2/c1-3-15(20)19-9-7-13(8-10-19)17-16(21)18-14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H2,17,18,21)
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n/an/a 8.70n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327821
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H20F3N3O2/c1-2-14(23)22-8-6-12(7-9-22)20-15(24)21-13-5-3-4-11(10-13)16(17,18)19/h3-5,10,12H,2,6-9H2,1H3,(H2,20,21,24)
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n/an/a 8.80n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50191854
PNG
(CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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n/an/a 9n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 10n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 10n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50441467
PNG
(CHEMBL2436573)
Show SMILES Oc1ccc(F)c(c1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H23F4N3O4/c24-19-6-3-16(31)13-18(19)20(32)29-10-7-22(8-11-29)9-12-30(14-22)21(33)28-15-1-4-17(5-2-15)34-23(25,26)27/h1-6,13,31H,7-12,14H2,(H,28,33)
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n/an/a 11n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50441483
PNG
(CHEMBL2436591)
Show SMILES CCC(CC)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C22H30F3N3O3/c1-3-16(4-2)19(29)27-12-9-21(10-13-27)11-14-28(15-21)20(30)26-17-5-7-18(8-6-17)31-22(23,24)25/h5-8,16H,3-4,9-15H2,1-2H3,(H,26,30)
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n/an/a 13n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327808
PNG
(1-(4-Bromophenyl)-3-(1-propionylpiperidin-4-yl)ure...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C15H20BrN3O2/c1-2-14(20)19-9-7-13(8-10-19)18-15(21)17-12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3,(H2,17,18,21)
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n/an/a 15n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327825
PNG
(1-(1-(2-(4-Benzylpiperazin-1-yl)acetyl)piperidin-4...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C26H32F3N5O3/c27-26(28,29)37-23-8-6-21(7-9-23)30-25(36)31-22-10-12-34(13-11-22)24(35)19-33-16-14-32(15-17-33)18-20-4-2-1-3-5-20/h1-9,22H,10-19H2,(H2,30,31,36)
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n/an/a 18n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327826
PNG
(1-(3-Fluorophenyl)-3-(1-propionylpiperidin-4-yl)ur...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C15H20FN3O2/c1-2-14(20)19-8-6-12(7-9-19)17-15(21)18-13-5-3-4-11(16)10-13/h3-5,10,12H,2,6-9H2,1H3,(H2,17,18,21)
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n/an/a 20n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50441478
PNG
(CHEMBL2436584)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C23H30F3N3O3/c24-23(25,26)32-19-8-6-18(7-9-19)27-21(31)29-15-12-22(16-29)10-13-28(14-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)
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n/an/a 22n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50441486
PNG
(CHEMBL2436593)
Show SMILES Oc1cccc(CCC(=O)N2CCC3(CCN(C3)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1
Show InChI InChI=1S/C25H28F3N3O4/c26-25(27,28)35-21-7-5-19(6-8-21)29-23(34)31-15-12-24(17-31)10-13-30(14-11-24)22(33)9-4-18-2-1-3-20(32)16-18/h1-3,5-8,16,32H,4,9-15,17H2,(H,29,34)
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n/an/a 22n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50327822
PNG
(1-(4-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)ur...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClN3O2/c1-2-14(20)19-9-7-13(8-10-19)18-15(21)17-12-5-3-11(16)4-6-12/h3-6,13H,2,7-10H2,1H3,(H2,17,18,21)
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n/an/a 23n/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


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50441461
PNG
(CHEMBL2436568)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C23H21ClF5N3O2/c24-16-5-4-14(12-15(16)23(27,28)29)30-21(34)32-11-8-22(13-32)6-9-31(10-7-22)20(33)19-17(25)2-1-3-18(19)26/h1-5,12H,6-11,13H2,(H,30,34)
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n/an/a 25n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Mus musculus)
BDBM50441468
PNG
(CHEMBL2436564)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-15-4-6-16(7-5-15)34-23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 26n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence...


Citation and Details
More data for this
Ligand-Target Pair
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