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Compile Data Set for Download or QSAR

Found 317 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase'   
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
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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PubMed
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)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
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)


Article DOI: 10.1021/jm00054a004
BindingDB Entry DOI: 10.7270/Q2T152P3
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327814
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethy...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H20F3N3O2/c1-2-14(23)22-9-7-13(8-10-22)21-15(24)20-12-5-3-11(4-6-12)16(17,18)19/h3-6,13H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 9.30n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327814
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethy...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H20F3N3O2/c1-2-14(23)22-9-7-13(8-10-22)21-15(24)20-12-5-3-11(4-6-12)16(17,18)19/h3-6,13H,2,7-10H2,1H3,(H2,20,21,24)
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n/an/a 89.6n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100518
PNG
(CHEMBL3327064 | US10377744, Compound No. 2389)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
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n/an/a 5.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100518
PNG
(CHEMBL3327064 | US10377744, Compound No. 2389)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
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n/an/a 37.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
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)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
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 22.6n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
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)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
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 9.10n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100543
PNG
(CHEMBL3327063)
Show SMILES CCCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-2-3-15(24)23-10-8-14(9-11-23)22-16(25)21-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,2-3,8-11H2,1H3,(H2,21,22,25)
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n/an/a 7.90n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100543
PNG
(CHEMBL3327063)
Show SMILES CCCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-2-3-15(24)23-10-8-14(9-11-23)22-16(25)21-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,2-3,8-11H2,1H3,(H2,21,22,25)
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n/an/a 63.8n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100519
PNG
(CHEMBL3327067 | US10377744, Compound No. 2391)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/s2
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n/an/a 4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100519
PNG
(CHEMBL3327067 | US10377744, Compound No. 2391)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/s2
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n/an/a 17.8n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100538
PNG
(CHEMBL3327070)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H19F6N3O2/c18-16(19,20)8-5-14(27)26-9-6-13(7-10-26)25-15(28)24-12-3-1-11(2-4-12)17(21,22)23/h1-4,13H,5-10H2,(H2,24,25,28)
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n/an/a 9.30n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100538
PNG
(CHEMBL3327070)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H19F6N3O2/c18-16(19,20)8-5-14(27)26-9-6-13(7-10-26)25-15(28)24-12-3-1-11(2-4-12)17(21,22)23/h1-4,13H,5-10H2,(H2,24,25,28)
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n/an/a 70.8n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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 28.9n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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 148n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100527
PNG
(CHEMBL3327082)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H20F3N3O3S/c1-2-25(23,24)21-9-7-13(8-10-21)20-14(22)19-12-5-3-11(4-6-12)15(16,17)18/h3-6,13H,2,7-10H2,1H3,(H2,19,20,22)
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n/an/a 11n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100527
PNG
(CHEMBL3327082)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H20F3N3O3S/c1-2-25(23,24)21-9-7-13(8-10-21)20-14(22)19-12-5-3-11(4-6-12)15(16,17)18/h3-6,13H,2,7-10H2,1H3,(H2,19,20,22)
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n/an/a 93.9n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100526
PNG
(CHEMBL3327083)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H22F3N3O3S/c1-2-11-26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,14H,2,7-11H2,1H3,(H2,20,21,23)
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n/an/a 6n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100526
PNG
(CHEMBL3327083)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H22F3N3O3S/c1-2-11-26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,14H,2,7-11H2,1H3,(H2,20,21,23)
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n/an/a 45.4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100523
PNG
(CHEMBL3327086)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H24F3N3O3S/c1-2-3-12-27(25,26)23-10-8-15(9-11-23)22-16(24)21-14-6-4-13(5-7-14)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H2,21,22,24)
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n/an/a 6.80n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100523
PNG
(CHEMBL3327086)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H24F3N3O3S/c1-2-3-12-27(25,26)23-10-8-15(9-11-23)22-16(24)21-14-6-4-13(5-7-14)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H2,21,22,24)
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n/an/a 27n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100525
PNG
(CHEMBL3327084)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C16H20F3N3O3S/c17-16(18,19)11-1-3-12(4-2-11)20-15(23)21-13-7-9-22(10-8-13)26(24,25)14-5-6-14/h1-4,13-14H,5-10H2,(H2,20,21,23)
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n/an/a 9.30n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100525
PNG
(CHEMBL3327084)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C16H20F3N3O3S/c17-16(18,19)11-1-3-12(4-2-11)20-15(23)21-13-7-9-22(10-8-13)26(24,25)14-5-6-14/h1-4,13-14H,5-10H2,(H2,20,21,23)
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n/an/a 92.1n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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 10.1n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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 37.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100524
PNG
(CHEMBL3327085)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H17F6N3O3S/c16-14(17,18)9-28(26,27)24-7-5-12(6-8-24)23-13(25)22-11-3-1-10(2-4-11)15(19,20)21/h1-4,12H,5-9H2,(H2,22,23,25)
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n/an/a 3.60n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50100524
PNG
(CHEMBL3327085)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H17F6N3O3S/c16-14(17,18)9-28(26,27)24-7-5-12(6-8-24)23-13(25)22-11-3-1-10(2-4-11)15(19,20)21/h1-4,12H,5-9H2,(H2,22,23,25)
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n/an/a 23.6n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM60949
PNG
(US9296693, 74)
Show SMILES CC(C)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C18H27N3O3S/c1-13(2)14-3-5-15(6-4-14)19-18(22)20-16-9-11-21(12-10-16)25(23,24)17-7-8-17/h3-6,13,16-17H,7-12H2,1-2H3,(H2,19,20,22)
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n/an/a 14.3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM60949
PNG
(US9296693, 74)
Show SMILES CC(C)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C18H27N3O3S/c1-13(2)14-3-5-15(6-4-14)19-18(22)20-16-9-11-21(12-10-16)25(23,24)17-7-8-17/h3-6,13,16-17H,7-12H2,1-2H3,(H2,19,20,22)
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n/an/a 157n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
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/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327823
PNG
(1-Cyclohexyl-3-(1-propionylpiperidin-4-yl)urea | C...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C15H27N3O2/c1-2-14(19)18-10-8-13(9-11-18)17-15(20)16-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H2,16,17,20)
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n/an/a 3.5n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327817
PNG
(1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperi...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1/C18H25N3O2/c1-2-17(22)21-10-8-14(9-11-21)19-18(23)20-16-12-15(16)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H2,19,20,23)/t15-,16+/s2
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n/an/a 7.40n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327829
PNG
(1-Phenyl-3-(1-propionylpiperidin-4-yl)urea | CHEMB...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H21N3O2/c1-2-14(19)18-10-8-13(9-11-18)17-15(20)16-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,16,17,20)
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n/an/a 49n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327812
PNG
(1-(Naphthalen-2-yl)-3-(1-propionylpiperidin-4-yl)u...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N3O2/c1-2-18(23)22-11-9-16(10-12-22)20-19(24)21-17-8-7-14-5-3-4-6-15(14)13-17/h3-8,13,16H,2,9-12H2,1H3,(H2,20,21,24)
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n/an/a 4.20n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327839
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(pyridin-3-yl)urea...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cccnc1
Show InChI InChI=1S/C14H20N4O2/c1-2-13(19)18-8-5-11(6-9-18)16-14(20)17-12-4-3-7-15-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H2,16,17,20)
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n/an/a 1.20E+4n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327838
PNG
(1-(1-Propionylpiperidin-4-yl)-3-o-tolylurea | CHEM...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C16H23N3O2/c1-3-15(20)19-10-8-13(9-11-19)17-16(21)18-14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H2,17,18,21)
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n/an/a 5.10E+3n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327819
PNG
(1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea | CHEM...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C16H23N3O2/c1-3-15(20)19-9-7-13(8-10-19)17-16(21)18-14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H2,17,18,21)
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n/an/a 8.70n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327828
PNG
(1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea | CHEM...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C16H23N3O2/c1-3-15(20)19-10-8-14(9-11-19)18-16(21)17-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H2,17,18,21)
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n/an/a 55n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327820
PNG
(1-(4-Methoxyphenyl)-3-(1-propionylpiperidin-4-yl)u...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C16H23N3O3/c1-3-15(20)19-10-8-13(9-11-19)18-16(21)17-12-4-6-14(22-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3,(H2,17,18,21)
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n/an/a 8.70n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
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/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327830
PNG
(1-(3,4-Methylenedioxyphenyl)-3-(1-propionylpiperid...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C16H21N3O4/c1-2-15(20)19-7-5-11(6-8-19)17-16(21)18-12-3-4-13-14(9-12)23-10-22-13/h3-4,9,11H,2,5-8,10H2,1H3,(H2,17,18,21)
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n/an/a 100n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327840
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(3,4,5-trimethoxyp...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H27N3O5/c1-5-16(22)21-8-6-12(7-9-21)19-18(23)20-13-10-14(24-2)17(26-4)15(11-13)25-3/h10-12H,5-9H2,1-4H3,(H2,19,20,23)
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n/an/a 2.50E+4n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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


(Mus musculus (Mouse))
BDBM50327836
PNG
(1-(4-Morpholinophenyl)-3-(1-propionylpiperidin-4-y...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C19H28N4O3/c1-2-18(24)23-9-7-16(8-10-23)21-19(25)20-15-3-5-17(6-4-15)22-11-13-26-14-12-22/h3-6,16H,2,7-14H2,1H3,(H2,20,21,25)
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US Patent
n/an/a 650n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


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


US Patent US9296693 (2016)


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