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Compile Data Set for Download or QSAR

Found 307 hits Enz. Inhib. hit(s) with Target = 'Soluble epoxide hydrolase (sEH)' 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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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US Patent
n/an/a 0.400n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
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


Citation and Details
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
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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US Patent
n/an/a 0.400n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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US Patent
n/an/a 0.400n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM100363
PNG
(US8501783, 1163 | US9296693, 2)
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50100539
PNG
(CHEMBL3327069)
Show SMILES FC(F)(F)CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H17F6N3O2/c17-15(18,19)9-13(26)25-7-5-12(6-8-25)24-14(27)23-11-3-1-10(2-4-11)16(20,21)22/h1-4,12H,5-9H2,(H2,23,24,27)
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n/an/a 1.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50100542
PNG
(CHEMBL3327065)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O2/c18-17(19,20)12-3-5-13(6-4-12)21-16(25)22-14-7-9-23(10-8-14)15(24)11-1-2-11/h3-6,11,14H,1-2,7-10H2,(H2,21,22,25)
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n/an/a 1.70n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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



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)

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


Citation and Details
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



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)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
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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US Patent
n/an/a 3.30n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
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