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PubMed code 20363133

Compile data set for download or QSAR
Found 67 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317312
PNG
(CHEMBL1099390 | N-(2-morpholinoethyl)-3-(3-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H23F3N4O4S/c21-20(22,23)15-4-6-16(7-5-15)25-19(28)26-17-2-1-3-18(14-17)32(29,30)24-8-9-27-10-12-31-13-11-27/h1-7,14,24H,8-13H2,(H2,25,26,28)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317315
PNG
(1-(3-(3-morpholinopropylsulfonyl)phenyl)-3-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)CCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H24F3N3O4S/c22-21(23,24)16-5-7-17(8-6-16)25-20(28)26-18-3-1-4-19(15-18)32(29,30)14-2-9-27-10-12-31-13-11-27/h1,3-8,15H,2,9-14H2,(H2,25,26,28)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317290
PNG
(CHEMBL1086820 | N-(2-morpholinoethyl)-4-(3-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-7-18(8-4-16)27-20(30)26-17-5-1-15(2-6-17)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317313
PNG
(1-(3-(morpholinosulfonyl)phenyl)-3-(4-(trifluorome...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18F3N3O4S/c19-18(20,21)13-4-6-14(7-5-13)22-17(25)23-15-2-1-3-16(12-15)29(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H2,22,23,25)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317308
PNG
(1-(4-(morpholinosulfonyl)phenyl)-3-(4-(trifluorome...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-15-5-7-16(8-6-15)29(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,22,23,25)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317310
PNG
(1-(4-(3-morpholinopropylsulfonyl)phenyl)-3-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H24F3N3O4S/c22-21(23,24)16-2-4-17(5-3-16)25-20(28)26-18-6-8-19(9-7-18)32(29,30)15-1-10-27-11-13-31-14-12-27/h2-9H,1,10-15H2,(H2,25,26,28)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317305
PNG
(1-(3-fluoro-4-(morpholine-4-carbonyl)phenyl)-3-(4-...)
Show SMILES Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)N1CCOCC1
Show InChI InChI=1S/C19H17F4N3O3/c20-16-11-14(5-6-15(16)17(27)26-7-9-29-10-8-26)25-18(28)24-13-3-1-12(2-4-13)19(21,22)23/h1-6,11H,7-10H2,(H2,24,25,28)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317291
PNG
(CHEMBL1086821 | N-(2-morpholinoethyl)-4-(3-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H23F3N4O4/c22-21(23,24)32-18-7-5-17(6-8-18)27-20(30)26-16-3-1-15(2-4-16)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317282
PNG
(1-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)-3-(...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H25F3N4O2/c1-15(2)28-11-13-29(14-12-28)20(30)16-3-7-18(8-4-16)26-21(31)27-19-9-5-17(6-10-19)22(23,24)25/h3-10,15H,11-14H2,1-2H3,(H2,26,27,31)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317303
PNG
(2-fluoro-N-(2-morpholinoethyl)-4-(3-(4-(trifluorom...)
Show SMILES Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C21H22F4N4O3/c22-18-13-16(28-20(31)27-15-3-1-14(2-4-15)21(23,24)25)5-6-17(18)19(30)26-7-8-29-9-11-32-12-10-29/h1-6,13H,7-12H2,(H,26,30)(H2,27,28,31)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317311
PNG
(1-(3-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-3-...)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H25F3N4O3S/c1-15(2)27-10-12-28(13-11-27)32(30,31)19-5-3-4-18(14-19)26-20(29)25-17-8-6-16(7-9-17)21(22,23)24/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,29)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317299
PNG
(CHEMBL1087492 | N-(2-morpholino-2-oxoethyl)-4-(3-(...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C21H21F3N4O4/c22-21(23,24)15-3-7-17(8-4-15)27-20(31)26-16-5-1-14(2-6-16)19(30)25-13-18(29)28-9-11-32-12-10-28/h1-8H,9-13H2,(H,25,30)(H2,26,27,31)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317286
PNG
(4-{[(adamantan-1-yl)carbamoyl]amino}-N-[2-(morphol...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)NCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22|
Show InChI InChI=1S/C24H34N4O3/c29-22(25-5-6-28-7-9-31-10-8-28)20-1-3-21(4-2-20)26-23(30)27-24-14-17-11-18(15-24)13-19(12-17)16-24/h1-4,17-19H,5-16H2,(H,25,29)(H2,26,27,30)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317307
PNG
(CHEMBL1088351 | N-(2-morpholinoethyl)-4-(3-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H23F3N4O4S/c21-20(22,23)15-1-3-16(4-2-15)25-19(28)26-17-5-7-18(8-6-17)32(29,30)24-9-10-27-11-13-31-14-12-27/h1-8,24H,9-14H2,(H2,25,26,28)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317301
PNG
(1-(3-fluoro-4-(4-methylpiperazine-1-carbonyl)pheny...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H20F4N4O2/c1-27-8-10-28(11-9-27)18(29)16-7-6-15(12-17(16)21)26-19(30)25-14-4-2-13(3-5-14)20(22,23)24/h2-7,12H,8-11H2,1H3,(H2,25,26,30)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317283
PNG
(1-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)-3-(...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N4O3/c1-15(2)28-11-13-29(14-12-28)20(30)16-3-5-17(6-4-16)26-21(31)27-18-7-9-19(10-8-18)32-22(23,24)25/h3-10,15H,11-14H2,1-2H3,(H2,26,27,31)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317298
PNG
(1-(4-(morpholine-4-carbonyl)phenyl)-3-(4-(trifluor...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H18F3N3O4/c20-19(21,22)29-16-7-5-15(6-8-16)24-18(27)23-14-3-1-13(2-4-14)17(26)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,27)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317306
PNG
(1-(4-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-3-...)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H25F3N4O3S/c1-15(2)27-11-13-28(14-12-27)32(30,31)19-9-7-18(8-10-19)26-20(29)25-17-5-3-16(4-6-17)21(22,23)24/h3-10,15H,11-14H2,1-2H3,(H2,25,26,29)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317297
PNG
(1-(4-(morpholine-4-carbonyl)phenyl)-3-(4-(trifluor...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H18F3N3O3/c20-19(21,22)14-3-7-16(8-4-14)24-18(27)23-15-5-1-13(2-6-15)17(26)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,27)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317281
PNG
(1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C20H21F3N4O3/c1-26-10-12-27(13-11-26)18(28)14-2-4-15(5-3-14)24-19(29)25-16-6-8-17(9-7-16)30-20(21,22)23/h2-9H,10-13H2,1H3,(H2,24,25,29)
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n/an/a 7n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317273
PNG
(1-(4-fluoro-3-(morpholine-4-carbonyl)phenyl)-3-(4-...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1C(=O)N1CCOCC1
Show InChI InChI=1S/C19H17F4N3O3/c20-16-6-5-14(11-15(16)17(27)26-7-9-29-10-8-26)25-18(28)24-13-3-1-12(2-4-13)19(21,22)23/h1-6,11H,7-10H2,(H2,24,25,28)
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n/an/a 8n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317292
PNG
(CHEMBL1087450 | N-(pyridin-3-yl)-4-(3-(4-(trifluor...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)Nc2cccnc2)cc1
Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)14-5-9-16(10-6-14)27-19(29)26-15-7-3-13(4-8-15)18(28)25-17-2-1-11-24-12-17/h1-12H,(H,25,28)(H2,26,27,29)
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n/an/a 8n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317267
PNG
(1-(3-(morpholine-4-carbonyl)phenyl)-3-(4-(trifluor...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-6-15(7-5-14)23-18(27)24-16-3-1-2-13(12-16)17(26)25-8-10-28-11-9-25/h1-7,12H,8-11H2,(H2,23,24,27)
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n/an/a 9n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317304
PNG
(1-(4-chlorophenyl)-3-(3-fluoro-4-(morpholine-4-car...)
Show SMILES Fc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1C(=O)N1CCOCC1
Show InChI InChI=1S/C18H17ClFN3O3/c19-12-1-3-13(4-2-12)21-18(25)22-14-5-6-15(16(20)11-14)17(24)23-7-9-26-10-8-23/h1-6,11H,7-10H2,(H2,21,22,25)
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n/an/a 11n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317322
PNG
(1-(3-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C20H21F3N4O2/c1-26-9-11-27(12-10-26)18(28)14-3-2-4-17(13-14)25-19(29)24-16-7-5-15(6-8-16)20(21,22)23/h2-8,13H,9-12H2,1H3,(H2,24,25,29)
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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 soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317316
PNG
(1-Adamantan-1-yl-3-[4-(piperazine-1-carbonyl)-phen...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCNCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C22H30N4O2/c27-20(26-7-5-23-6-8-26)18-1-3-19(4-2-18)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-4,15-17,23H,5-14H2,(H2,24,25,28)
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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 soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317280
PNG
(1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N4O2/c1-26-10-12-27(13-11-26)18(28)14-2-6-16(7-3-14)24-19(29)25-17-8-4-15(5-9-17)20(21,22)23/h2-9H,10-13H2,1H3,(H2,24,25,29)
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n/an/a 14n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317257
PNG
(1-(3-(4-isopropylpiperazine-1-carbonyl)phenyl)-3-(...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H25F3N4O2/c1-15(2)28-10-12-29(13-11-28)20(30)16-4-3-5-19(14-16)27-21(31)26-18-8-6-17(7-9-18)22(23,24)25/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,31)
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n/an/a 15n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317289
PNG
(4-(3-(4-chlorophenyl)ureido)-N-(2-morpholinoethyl)...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H23ClN4O3/c21-16-3-7-18(8-4-16)24-20(27)23-17-5-1-15(2-6-17)19(26)22-9-10-25-11-13-28-14-12-25/h1-8H,9-14H2,(H,22,26)(H2,23,24,27)
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n/an/a 16n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317269
PNG
(1-(4-fluoro-3-(4-methylpiperazine-1-carbonyl)pheny...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H20F4N4O2/c1-27-8-10-28(11-9-27)18(29)16-12-15(6-7-17(16)21)26-19(30)25-14-4-2-13(3-5-14)20(22,23)24/h2-7,12H,8-11H2,1H3,(H2,25,26,30)
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n/an/a 16n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317264
PNG
(CHEMBL1095472 | N-(pyridin-3-yl)-3-(3-(4-(trifluor...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccnc2)cc1
Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)14-6-8-15(9-7-14)26-19(29)27-16-4-1-3-13(11-16)18(28)25-17-5-2-10-24-12-17/h1-12H,(H,25,28)(H2,26,27,29)
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n/an/a 18n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317296
PNG
(1-(4-chlorophenyl)-3-(4-(morpholine-4-carbonyl)phe...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18ClN3O3/c19-14-3-7-16(8-4-14)21-18(24)20-15-5-1-13(2-6-15)17(23)22-9-11-25-12-10-22/h1-8H,9-12H2,(H2,20,21,24)
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n/an/a 18n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317272
PNG
(2-fluoro-N-(2-morpholinoethyl)-5-(3-(4-(trifluorom...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C21H22F4N4O3/c22-18-6-5-16(13-17(18)19(30)26-7-8-29-9-11-32-12-10-29)28-20(31)27-15-3-1-14(2-4-15)21(23,24)25/h1-6,13H,7-12H2,(H,26,30)(H2,27,28,31)
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n/an/a 18n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317276
PNG
(4-(4-(3-(4-(trifluoromethyl)phenyl)ureido)benzamid...)
Show SMILES OC(=O)CCCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3N3O4/c20-19(21,22)13-5-9-15(10-6-13)25-18(29)24-14-7-3-12(4-8-14)17(28)23-11-1-2-16(26)27/h3-10H,1-2,11H2,(H,23,28)(H,26,27)(H2,24,25,29)
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n/an/a 19n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317302
PNG
(2-fluoro-N-(2-(pyrrolidin-1-yl)ethyl)-4-(3-(4-(tri...)
Show SMILES Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C21H22F4N4O2/c22-18-13-16(7-8-17(18)19(30)26-9-12-29-10-1-2-11-29)28-20(31)27-15-5-3-14(4-6-15)21(23,24)25/h3-8,13H,1-2,9-12H2,(H,26,30)(H2,27,28,31)
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n/an/a 19n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317285
PNG
(4-(3-(4-cyclohexylphenyl)ureido)-N-(2-morpholinoet...)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)Nc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C26H34N4O3/c31-25(27-14-15-30-16-18-33-19-17-30)22-8-12-24(13-9-22)29-26(32)28-23-10-6-21(7-11-23)20-4-2-1-3-5-20/h6-13,20H,1-5,14-19H2,(H,27,31)(H2,28,29,32)
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n/an/a 19n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317278
PNG
(4-(4-(3-(4-(trifluoromethyl)phenyl)ureido)benzoyl)...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15F3N2O4/c23-22(24,25)16-7-11-18(12-8-16)27-21(31)26-17-9-5-14(6-10-17)19(28)13-1-3-15(4-2-13)20(29)30/h1-12H,(H,29,30)(H2,26,27,31)
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n/an/a 20n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317263
PNG
(CHEMBL1095471 | N-(2-morpholinoethyl)-3-(3-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C21H23F3N4O3/c22-21(23,24)16-4-6-17(7-5-16)26-20(30)27-18-3-1-2-15(14-18)19(29)25-8-9-28-10-12-31-13-11-28/h1-7,14H,8-13H2,(H,25,29)(H2,26,27,30)
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n/an/a 22n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317321
PNG
(4-(3-(3-(4-(trifluoromethyl)phenyl)ureido)benzoyl)...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H15F3N2O4/c23-22(24,25)16-8-10-17(11-9-16)26-21(31)27-18-3-1-2-15(12-18)19(28)13-4-6-14(7-5-13)20(29)30/h1-12H,(H,29,30)(H2,26,27,31)
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n/an/a 27n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50267206
PNG
(1-(adamantan-1-yl)-3-{3-[(4-methylpiperazin-1-yl)c...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H32N4O2/c1-26-5-7-27(8-6-26)21(28)19-3-2-4-20(12-19)24-22(29)25-23-13-16-9-17(14-23)11-18(10-16)15-23/h2-4,12,16-18H,5-11,13-15H2,1H3,(H2,24,25,29)
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n/an/a 36n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317271
PNG
(5-(3-(4-chlorophenyl)ureido)-2-fluoro-N-(2-morphol...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C20H22ClFN4O3/c21-14-1-3-15(4-2-14)24-20(28)25-16-5-6-18(22)17(13-16)19(27)23-7-8-26-9-11-29-12-10-26/h1-6,13H,7-12H2,(H,23,27)(H2,24,25,28)
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n/an/a 38n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317265
PNG
(1-(4-chlorophenyl)-3-(3-(4-morpholinopiperidine-1-...)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCC(CC2)N2CCOCC2)cc1
Show InChI InChI=1S/C23H27ClN4O3/c24-18-4-6-19(7-5-18)25-23(30)26-20-3-1-2-17(16-20)22(29)28-10-8-21(9-11-28)27-12-14-31-15-13-27/h1-7,16,21H,8-15H2,(H2,25,26,30)
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n/an/a 47n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317284
PNG
(CHEMBL1088698 | N-(2-(pyrrolidin-1-yl)ethyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCCC2)cc1
Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)16-5-9-18(10-6-16)27-20(30)26-17-7-3-15(4-8-17)19(29)25-11-14-28-12-1-2-13-28/h3-10H,1-2,11-14H2,(H,25,29)(H2,26,27,30)
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n/an/a 48n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317266
PNG
(1-(4-chlorophenyl)-3-(3-(morpholine-4-carbonyl)phe...)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18ClN3O3/c19-14-4-6-15(7-5-14)20-18(24)21-16-3-1-2-13(12-16)17(23)22-8-10-25-11-9-22/h1-7,12H,8-11H2,(H2,20,21,24)
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n/an/a 49n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317309
PNG
(1-(4-(3-morpholinopropylsulfonyl)phenyl)-3-phenylu...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)S(=O)(=O)CCCN1CCOCC1
Show InChI InChI=1S/C20H25N3O4S/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)28(25,26)16-4-11-23-12-14-27-15-13-23/h1-3,5-10H,4,11-16H2,(H2,21,22,24)
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n/an/a 54n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317300
PNG
(4-{[(adamantan-1-yl)carbamoyl]amino}-N-(2-methoxye...)
Show SMILES COCCNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:14:15:18:22.21.20,THB:23:15:18:22.21.20,23:21:18:24.16.15,16:17:20:24.15.23,16:15:18.17.22:20|
Show InChI InChI=1S/C21H29N3O3/c1-27-7-6-22-19(25)17-2-4-18(5-3-17)23-20(26)24-21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16H,6-13H2,1H3,(H,22,25)(H2,23,24,26)
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n/an/a 54n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317260
PNG
(3-{[(adamantan-1-yl)carbamoyl]amino}-N-[2-(morphol...)
Show SMILES O=C(Nc1cccc(c1)C(=O)NCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:23.22.28:29,THB:26:25:22:28.27.29,26:27:24.25.30:22,24:23:25.30.26:29|
Show InChI InChI=1S/C24H34N4O3/c29-22(25-4-5-28-6-8-31-9-7-28)20-2-1-3-21(13-20)26-23(30)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h1-3,13,17-19H,4-12,14-16H2,(H,25,29)(H2,26,27,30)
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n/an/a 62n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317258
PNG
(CHEMBL1097523 | N-(2-(pyrrolidin-1-yl)ethyl)-3-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCN2CCCC2)cc1
Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)16-6-8-17(9-7-16)26-20(30)27-18-5-3-4-15(14-18)19(29)25-10-13-28-11-1-2-12-28/h3-9,14H,1-2,10-13H2,(H,25,29)(H2,26,27,30)
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n/an/a 68n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317277
PNG
(CHEMBL1087854 | {2-[4-(3-Adamantan-1-yl-ureido)-be...)
Show SMILES OC(=O)COCCNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C22H29N3O5/c26-19(27)13-30-6-5-23-20(28)17-1-3-18(4-2-17)24-21(29)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-16H,5-13H2,(H,23,28)(H,26,27)(H2,24,25,29)
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n/an/a 80n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317314
PNG
(1-(3-(3-morpholinopropylsulfonyl)phenyl)-3-phenylu...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)S(=O)(=O)CCCN1CCOCC1
Show InChI InChI=1S/C20H25N3O4S/c24-20(21-17-6-2-1-3-7-17)22-18-8-4-9-19(16-18)28(25,26)15-5-10-23-11-13-27-14-12-23/h1-4,6-9,16H,5,10-15H2,(H2,21,22,24)
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n/an/a 100n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317268
PNG
(3-{[(adamantan-1-yl)carbamoyl]amino}-N-(2-methoxye...)
Show SMILES COCCNC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
Show InChI InChI=1S/C21H29N3O3/c1-27-6-5-22-19(25)17-3-2-4-18(10-17)23-20(26)24-21-11-14-7-15(12-21)9-16(8-14)13-21/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,22,25)(H2,23,24,26)
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n/an/a 110n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317319
PNG
(4-(3-(3-(4-(trifluoromethyl)phenyl)ureido)benzamid...)
Show SMILES OC(=O)CCCNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C19H18F3N3O4/c20-19(21,22)13-6-8-14(9-7-13)24-18(29)25-15-4-1-3-12(11-15)17(28)23-10-2-5-16(26)27/h1,3-4,6-9,11H,2,5,10H2,(H,23,28)(H,26,27)(H2,24,25,29)
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n/an/a 120n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317262
PNG
(3-(3-(4-chlorophenyl)ureido)-N-(2-morpholinoethyl)...)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H23ClN4O3/c21-16-4-6-17(7-5-16)23-20(27)24-18-3-1-2-15(14-18)19(26)22-8-9-25-10-12-28-13-11-25/h1-7,14H,8-13H2,(H,22,26)(H2,23,24,27)
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n/an/a 130n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317320
PNG
(2-{2-[(3-{[(adamantan-1-yl)carbamoyl]amino}phenyl)...)
Show SMILES OC(=O)COCCNC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C22H29N3O5/c26-19(27)13-30-5-4-23-20(28)17-2-1-3-18(9-17)24-21(29)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-3,9,14-16H,4-8,10-13H2,(H,23,28)(H,26,27)(H2,24,25,29)
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n/an/a 130n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317288
PNG
(4-(3-(4-fluorophenyl)ureido)-N-(2-morpholinoethyl)...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H23FN4O3/c21-16-3-7-18(8-4-16)24-20(27)23-17-5-1-15(2-6-17)19(26)22-9-10-25-11-13-28-14-12-25/h1-8H,9-14H2,(H,22,26)(H2,23,24,27)
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n/an/a 140n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317279
PNG
(1-(4-fluorophenyl)-3-(4-(4-methylpiperazine-1-carb...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H21FN4O2/c1-23-10-12-24(13-11-23)18(25)14-2-6-16(7-3-14)21-19(26)22-17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3,(H2,21,22,26)
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n/an/a 160n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317295
PNG
(1-(4-fluorophenyl)-3-(4-(morpholine-4-carbonyl)phe...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C18H18FN3O3/c19-14-3-7-16(8-4-14)21-18(24)20-15-5-1-13(2-6-15)17(23)22-9-11-25-12-10-22/h1-8H,9-12H2,(H2,20,21,24)
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n/an/a 170n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317275
PNG
(CHEMBL1088373 | {[4-(3-Adamantan-1-yl-ureido)-benz...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:20:18.17.23:24,THB:19:18:20.25.21:24,21:20:17:23.22.24,21:22:19.20.25:17|
Show InChI InChI=1S/C21H27N3O4/c1-24(12-18(25)26)19(27)16-2-4-17(5-3-16)22-20(28)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3,(H,25,26)(H2,22,23,28)
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n/an/a 200n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317318
PNG
(CHEMBL1088118 | {[3-(3-Adamantan-1-yl-ureido)-benz...)
Show SMILES CN(CC(O)=O)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:20:21:19.18.24:25,THB:20:19:21.26.22:25,22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C21H27N3O4/c1-24(12-18(25)26)19(27)16-3-2-4-17(8-16)22-20(28)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,25,26)(H2,22,23,28)
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n/an/a 230n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317293
PNG
(1-(4-chlorophenyl)-3-(4-(4-morpholinopiperidine-1-...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCOCC2)cc1
Show InChI InChI=1S/C23H27ClN4O3/c24-18-3-7-20(8-4-18)26-23(30)25-19-5-1-17(2-6-19)22(29)28-11-9-21(10-12-28)27-13-15-31-16-14-27/h1-8,21H,9-16H2,(H2,25,26,30)
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n/an/a 235n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317294
PNG
(1-(4-(morpholine-4-carbonyl)phenyl)-3-phenylurea |...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H19N3O3/c22-17(21-10-12-24-13-11-21)14-6-8-16(9-7-14)20-18(23)19-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,19,20,23)
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n/an/a 251n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317259
PNG
(3-(3-(4-cyclohexylphenyl)ureido)-N-(2-morpholinoet...)
Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)Nc1cccc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C26H34N4O3/c31-25(27-13-14-30-15-17-33-18-16-30)22-7-4-8-24(19-22)29-26(32)28-23-11-9-21(10-12-23)20-5-2-1-3-6-20/h4,7-12,19-20H,1-3,5-6,13-18H2,(H,27,31)(H2,28,29,32)
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n/an/a 280n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317287
PNG
(CHEMBL1087062 | N-(2-morpholinoethyl)-4-(3-phenylu...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C20H24N4O3/c25-19(21-10-11-24-12-14-27-15-13-24)16-6-8-18(9-7-16)23-20(26)22-17-4-2-1-3-5-17/h1-9H,10-15H2,(H,21,25)(H2,22,23,26)
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n/an/a 320n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317274
PNG
(CHEMBL1087716 | [4-(3-Adamantan-1-yl-ureido)-benzo...)
Show SMILES OC(=O)CNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:18:19:17.16.22:23,THB:18:17:19.24.20:23,20:19:16:22.21.23,20:21:18.19.24:16|
Show InChI InChI=1S/C20H25N3O4/c24-17(25)11-21-18(26)15-1-3-16(4-2-15)22-19(27)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,21,26)(H,24,25)(H2,22,23,27)
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n/an/a 490n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317270
PNG
(5-(3-(4-chlorophenyl)ureido)-2-fluoro-N-(2-(pyrrol...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C20H22ClFN4O2/c21-14-3-5-15(6-4-14)24-20(28)25-16-7-8-18(22)17(13-16)19(27)23-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12H2,(H,23,27)(H2,24,25,28)
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n/an/a 760n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317317
PNG
(CHEMBL1087983 | [3-(3-Adamantan-1-yl-ureido)-benzo...)
Show SMILES OC(=O)CNC(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |TLB:19:20:18.17.23:24,THB:19:18:20.25.21:24,21:20:17:23.22.24,21:22:19.20.25:17|
Show InChI InChI=1S/C20H25N3O4/c24-17(25)11-21-18(26)15-2-1-3-16(7-15)22-19(27)23-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,12-14H,4-6,8-11H2,(H,21,26)(H,24,25)(H2,22,23,27)
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n/an/a 800n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317261
PNG
(CHEMBL1098469 | N-(2-morpholinoethyl)-3-(3-phenylu...)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C20H24N4O3/c25-19(21-9-10-24-11-13-27-14-12-24)16-5-4-8-18(15-16)23-20(26)22-17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,21,25)(H2,22,23,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay


Bioorg Med Chem Lett 20: 2740-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%