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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'aavula' and Initial = 'br'   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM25743
PNG
(1-cycloheptyl-3-(1-acetylpiperidin-4-yl)urea | US8...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
Show InChI InChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20)
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n/an/a 0.800n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335964
PNG
(1-(1-nicotinoylpiperidin-4-yl)-3-(4-(trifluorometh...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-5-3-14(4-6-16)24-18(28)25-15-7-10-26(11-8-15)17(27)13-2-1-9-23-12-13/h1-6,9,12,15H,7-8,10-11H2,(H2,24,25,28)
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n/an/a 1.60n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335965
PNG
(1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H22F3N3O4S/c1-11(2)27(24,25)22-9-7-13(8-10-22)21-15(23)20-12-3-5-14(6-4-12)26-16(17,18)19/h3-6,11,13H,7-10H2,1-2H3,(H2,20,21,23)
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n/an/a 1.60n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335966
PNG
(1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)
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n/an/a 1.90n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335967
PNG
(1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H2,20,21,23)
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n/an/a 2.90n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335968
PNG
(1-(1-(methylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H18F3N3O3S/c1-24(22,23)20-8-6-12(7-9-20)19-13(21)18-11-4-2-10(3-5-11)14(15,16)17/h2-5,12H,6-9H2,1H3,(H2,18,19,21)
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n/an/a 3.70n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335966
PNG
(1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)
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n/an/a 3.90n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335969
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohex...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(C)(C)CC1
Show InChI InChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21)
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n/an/a 6n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335970
PNG
(1-cyclohexyl-3-(1-picolinoylpiperidin-4-yl)urea | ...)
Show SMILES O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)c1ccccn1
Show InChI InChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24)
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n/an/a 6.40n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335964
PNG
(1-(1-nicotinoylpiperidin-4-yl)-3-(4-(trifluorometh...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-5-3-14(4-6-16)24-18(28)25-15-7-10-26(11-8-15)17(27)13-2-1-9-23-12-13/h1-6,9,12,15H,7-8,10-11H2,(H2,24,25,28)
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n/an/a 6.70n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
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 8n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335971
PNG
(1-(1-acetylpiperidin-4-yl)-3-(3-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-7-5-12(6-8-21)19-14(23)20-13-4-2-3-11(9-13)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H2,19,20,23)
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n/an/a 10n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335972
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)
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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 human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


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



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335973
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4-tert-butylcyclohex...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(CC1)C(C)(C)C
Show InChI InChI=1S/C18H33N3O2/c1-13(22)21-11-9-16(10-12-21)20-17(23)19-15-7-5-14(6-8-15)18(2,3)4/h14-16H,5-12H2,1-4H3,(H2,19,20,23)
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n/an/a 13n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335967
PNG
(1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H2,20,21,23)
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n/an/a 13n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335974
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-bicyclo[2.2.1]hept-7...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1C2CCC1CC2
Show InChI InChI=1S/C15H25N3O2/c1-10(19)18-8-6-13(7-9-18)16-15(20)17-14-11-2-3-12(14)5-4-11/h11-14H,2-9H2,1H3,(H2,16,17,20)
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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 human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335975
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-(4-methyl-bicyclo[2....)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CC2(C)CCC1CC2
Show InChI InChI=1S/C17H29N3O2/c1-12(21)20-9-5-14(6-10-20)18-16(22)19-15-11-17(2)7-3-13(15)4-8-17/h13-15H,3-11H2,1-2H3,(H2,18,19,22)
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n/an/a 25n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335968
PNG
(1-(1-(methylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H18F3N3O3S/c1-24(22,23)20-8-6-12(7-9-20)19-13(21)18-11-4-2-10(3-5-11)14(15,16)17/h2-5,12H,6-9H2,1H3,(H2,18,19,21)
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n/an/a 26n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25743
PNG
(1-cycloheptyl-3-(1-acetylpiperidin-4-yl)urea | US8...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
Show InChI InChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20)
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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 in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335976
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-cyclohexyl-urea | CH...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H25N3O2/c1-11(18)17-9-7-13(8-10-17)16-14(19)15-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H2,15,16,19)
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n/an/a 29n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335969
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohex...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(C)(C)CC1
Show InChI InChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21)
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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 in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
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 57n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335977
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-(3-fluoro-adamantan-...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(F)(CC(F)(C3)C1)C2
Show InChI InChI=1S/C18H27F2N3O2/c1-12(24)23-4-2-14(3-5-23)21-15(25)22-18-8-13-6-16(19,10-18)9-17(20,7-13)11-18/h13-14H,2-11H2,1H3,(H2,21,22,25)
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n/an/a 58n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


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



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335965
PNG
(1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H22F3N3O4S/c1-11(2)27(24,25)22-9-7-13(8-10-22)21-15(23)20-12-3-5-14(6-4-12)26-16(17,18)19/h3-6,11,13H,7-10H2,1-2H3,(H2,20,21,23)
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n/an/a 64n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335970
PNG
(1-cyclohexyl-3-(1-picolinoylpiperidin-4-yl)urea | ...)
Show SMILES O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)c1ccccn1
Show InChI InChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24)
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n/an/a 67n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335972
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)
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n/an/a 98n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335978
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-(3,5,7-trifluoro-ada...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3(F)CC(F)(CC(F)(C3)C1)C2
Show InChI InChI=1S/C18H26F3N3O2/c1-12(25)24-4-2-13(3-5-24)22-14(26)23-18-9-15(19)6-16(20,10-18)8-17(21,7-15)11-18/h13H,2-11H2,1H3,(H2,22,23,26)
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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 human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335974
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-bicyclo[2.2.1]hept-7...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1C2CCC1CC2
Show InChI InChI=1S/C15H25N3O2/c1-10(19)18-8-6-13(7-9-18)16-15(20)17-14-11-2-3-12(14)5-4-11/h11-14H,2-9H2,1H3,(H2,16,17,20)
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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 in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335979
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohex...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C14H23F2N3O2/c1-10(20)19-8-4-12(5-9-19)18-13(21)17-11-2-6-14(15,16)7-3-11/h11-12H,2-9H2,1H3,(H2,17,18,21)
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n/an/a 185n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335971
PNG
(1-(1-acetylpiperidin-4-yl)-3-(3-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-7-5-12(6-8-21)19-14(23)20-13-4-2-3-11(9-13)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H2,19,20,23)
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n/an/a 226n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335973
PNG
(1-(1-acetylpiperidin-4-yl)-3-(4-tert-butylcyclohex...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(CC1)C(C)(C)C
Show InChI InChI=1S/C18H33N3O2/c1-13(22)21-11-9-16(10-12-21)20-17(23)19-15-7-5-14(6-8-15)18(2,3)4/h14-16H,5-12H2,1-4H3,(H2,19,20,23)
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n/an/a 270n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50335975
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-(4-methyl-bicyclo[2....)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CC2(C)CCC1CC2
Show InChI InChI=1S/C17H29N3O2/c1-12(21)20-9-5-14(6-10-20)18-16(22)19-15-11-17(2)7-3-13(15)4-8-17/h13-15H,3-11H2,1-2H3,(H2,18,19,22)
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Ar£te Therapeutics, Inc.

Curated by ChEMBL


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


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


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