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Patent code US8501783

Compile Data Set for Download or QSAR
Found 79 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
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM50327847
PNG
(1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C15H15F6N3O3/c16-14(17,18)12(25)24-7-5-10(6-8-24)23-13(26)22-9-1-3-11(4-2-9)27-15(19,20)21/h1-4,10H,5-8H2,(H2,22,23,26)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2197
PNG
(US8501783, 1591)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H19F6N3O4S/c21-19(22,23)13-1-7-17(8-2-13)34(31,32)29-11-9-15(10-12-29)28-18(30)27-14-3-5-16(6-4-14)33-20(24,25)26/h1-8,15H,9-12H2,(H2,27,28,30)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


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

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM50327856
PNG
(1-(1-(5-(Dimethylamino)naphthalen-1-ylsulfonyl)pip...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N4O4S/c1-31(2)22-7-3-6-21-20(22)5-4-8-23(21)37(34,35)32-15-13-18(14-16-32)30-24(33)29-17-9-11-19(12-10-17)36-25(26,27)28/h3-12,18H,13-16H2,1-2H3,(H2,29,30,33)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100436
PNG
(US8501783, 1702)
Show SMILES COC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,13:14:21:17.18.19|
Show InChI InChI=1S/C18H29N3O3/c1-24-17(23)21-4-2-15(3-5-21)19-16(22)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h12-15H,2-11H2,1H3,(H2,19,20,22)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100412
PNG
(US8501783, 1590)
Show SMILES FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:16.25.24:21,17:16:19.18.23:21,24:16:19:23.21.22,24:22:19:17.16.25|
Show InChI InChI=1S/C18H26F3N3O2/c19-18(20,21)15(25)24-3-1-14(2-4-24)22-16(26)23-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,22,23,26)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100431
PNG
(US8501783, 1204)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:22.31.30:27,23:22:25.24.29:27,30:22:25:29.27.28,30:28:25:23.22.31|
Show InChI InChI=1S/C25H33N3O4/c1-32-23(30)20-4-2-19(3-5-20)22(29)28-8-6-21(7-9-28)26-24(31)27-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-5,16-18,21H,6-15H2,1H3,(H2,26,27,31)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2210
PNG
(US8501783, 1203 | US8501783, 1209)
Show SMILES COC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C26H35N3O4/c1-33-24(31)22-4-2-3-21(12-22)23(30)29-7-5-17(6-8-29)16-27-25(32)28-26-13-18-9-19(14-26)11-20(10-18)15-26/h2-4,12,17-20H,5-11,13-16H2,1H3,(H2,27,28,32)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2211
PNG
(US8501783, 1204 | US8501783, 1211)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C26H35N3O4/c1-33-24(31)22-4-2-21(3-5-22)23(30)29-8-6-17(7-9-29)16-27-25(32)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,17-20H,6-16H2,1H3,(H2,27,28,32)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100430
PNG
(US8501783, 1201)
Show SMILES O=C(NC1CCN(CC1)C(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21.20.25:23,THB:19:20:18.27.26:23,19:18:21.20.25:23,26:18:21:25.23.24,26:24:21:19.18.27|
Show InChI InChI=1S/C22H30N4O2/c27-20(19-3-1-2-6-23-19)26-7-4-18(5-8-26)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-3,6,15-18H,4-5,7-14H2,(H2,24,25,28)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100428
PNG
(US8501783, 1159)
Show SMILES O=C(NC1CCN(CC1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:27:18:25:21.22.23,THB:27:22:25:18.26.19,26:18:21:25.24.23,26:24:21:18.27.19,17:18:25:21.22.23|
Show InChI InChI=1S/C23H31N3O2/c27-21(19-4-2-1-3-5-19)26-8-6-20(7-9-26)24-22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h1-5,16-18,20H,6-15H2,(H2,24,25,28)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100435
PNG
(US8501783, 1701)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,13:14:21:17.18.19|
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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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2211
PNG
(US8501783, 1204 | US8501783, 1211)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C26H35N3O4/c1-33-24(31)22-4-2-21(3-5-22)23(30)29-8-6-17(7-9-29)16-27-25(32)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,17-20H,6-16H2,1H3,(H2,27,28,32)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100425
PNG
(US8501783, 1606)
Show SMILES FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:24:16:19:23.21.22,24:22:19:17.16.25,17:18:16.25.24:21,17:16:19.18.23:21|
Show InChI InChI=1S/C18H26F3N3O2/c19-18(20,21)15(25)24-3-1-14(2-4-24)22-16(26)23-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,22,23,26)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100378
PNG
(US8501783, 1202)
Show SMILES COC(=O)c1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:30:22:25:29.27.28,30:28:25:23.22.31,27:26:23:30.29.28,27:28:23:26.25.31|
Show InChI InChI=1S/C25H33N3O4/c1-32-23(30)21-5-3-2-4-20(21)22(29)28-8-6-19(7-9-28)26-24(31)27-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-5,16-19H,6-15H2,1H3,(H2,26,27,31)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100368
PNG
(US8501783, 1433)
Show SMILES O=C(NC1CCN(CC1)C(=O)c1ccncc1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
Show InChI InChI=1S/C22H30N4O2/c27-20(18-1-5-23-6-2-18)26-7-3-19(4-8-26)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-2,5-6,15-17,19H,3-4,7-14H2,(H2,24,25,28)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100401
PNG
(US8501783, 1556)
Show SMILES FC(F)(F)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:24:15:22:18.19.20,THB:14:15:22:18.19.20,24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16|
Show InChI InChI=1S/C19H28F3N3O2/c20-19(21,22)16(26)25-3-1-12(2-4-25)11-23-17(27)24-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-15H,1-11H2,(H2,23,24,27)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100383
PNG
(US8501783, 1210)
Show SMILES COC(=O)c1ccccc1C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C26H35N3O4/c1-33-24(31)22-5-3-2-4-21(22)23(30)29-8-6-17(7-9-29)16-27-25(32)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,17-20H,6-16H2,1H3,(H2,27,28,32)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100367
PNG
(US8501783, 1434)
Show SMILES O=C(NC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
Show InChI InChI=1S/C22H30N4O2/c27-20(18-2-1-5-23-14-18)26-6-3-19(4-7-26)24-21(28)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,5,14-17,19H,3-4,6-13H2,(H2,24,25,28)
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The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100427
PNG
(US8501783, 1157)
Show SMILES CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:18.19.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16,14:15:22:18.19.20|
Show InChI InChI=1S/C20H33N3O2/c1-2-3-18(24)23-6-4-17(5-7-23)21-19(25)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17H,2-13H2,1H3,(H2,21,22,25)
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n/an/a 2.64n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100377
PNG
(US8501783, 1206)
Show SMILES COC(=O)CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|
Show InChI InChI=1S/C22H35N3O4/c1-29-20(27)4-2-3-19(26)25-7-5-18(6-8-25)23-21(28)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18H,2-14H2,1H3,(H2,23,24,28)
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n/an/a 2.70n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100426
PNG
(US8501783, 1163)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,13:14:21:17.18.19|
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 3.19n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100363
PNG
(US8501783, 1163 | US9296693, 2)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|
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 3.20n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100372
PNG
(US8501783, 1121 | US8501783, 165)
Show SMILES O=C(NCC1CCN(CC1)C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|
Show InChI InChI=1S/C24H33N3O2/c28-22(21-4-2-1-3-5-21)27-8-6-17(7-9-27)16-25-23(29)26-24-13-18-10-19(14-24)12-20(11-18)15-24/h1-5,17-20H,6-16H2,(H2,25,26,29)
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n/an/a 3.20n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100390
PNG
(US8501783, 1523)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C24H31N3O4/c28-21(18-1-3-19(4-2-18)22(29)30)27-7-5-20(6-8-27)25-23(31)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-4,15-17,20H,5-14H2,(H,29,30)(H2,25,26,31)
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n/an/a 3.30n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100382
PNG
(US8501783, 1212)
Show SMILES COC(=O)CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
Show InChI InChI=1S/C23H37N3O4/c1-30-21(28)4-2-3-20(27)26-7-5-16(6-8-26)15-24-22(29)25-23-12-17-9-18(13-23)11-19(10-17)14-23/h16-19H,2-15H2,1H3,(H2,24,25,29)
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n/an/a 3.40n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2210
PNG
(US8501783, 1203 | US8501783, 1209)
Show SMILES COC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C26H35N3O4/c1-33-24(31)22-4-2-3-21(12-22)23(30)29-7-5-17(6-8-29)16-27-25(32)28-26-13-18-9-19(14-26)11-20(10-18)15-26/h2-4,12,17-20H,5-11,13-16H2,1H3,(H2,27,28,32)
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n/an/a 4.10n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100398
PNG
(US8501783, 1551)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-11-9-14(10-12-20)19-15(21)18-13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H2,18,19,21)
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n/an/a 4.30n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100415
PNG
(US8501783, 1605)
Show SMILES O=C(NC1CCN(CC1)C(=O)c1ccccc1)NC1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H30N4O3/c30-23(19-7-3-1-4-8-19)28-15-11-21(12-16-28)26-25(32)27-22-13-17-29(18-14-22)24(31)20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H2,26,27,32)
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n/an/a 4.80n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100369
PNG
(US8501783, 1156)
Show SMILES CC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:20:12:15:19.17.18,20:18:15:13.12.21,17:16:13:20.19.18,17:18:13:16.15.21|
Show InChI InChI=1S/C19H31N3O2/c1-13(23)22-4-2-14(3-5-22)12-20-18(24)21-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17H,2-12H2,1H3,(H2,20,21,24)
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n/an/a 5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100375
PNG
(US8501783, 1435)
Show SMILES O=C(NCC1CCN(CC1)C(=O)c1ccncc1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|
Show InChI InChI=1S/C23H32N4O2/c28-21(20-1-5-24-6-2-20)27-7-3-16(4-8-27)15-25-22(29)26-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-2,5-6,16-19H,3-4,7-15H2,(H2,25,26,29)
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n/an/a 5.40n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100381
PNG
(US8501783, 1208)
Show SMILES COC(=O)CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|
Show InChI InChI=1S/C22H35N3O4/c1-29-20(27)3-2-19(26)25-6-4-15(5-7-25)14-23-21(28)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-18H,2-14H2,1H3,(H2,23,24,28)
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n/an/a 6.20n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100371
PNG
(US8501783, 1120)
Show SMILES CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|
Show InChI InChI=1S/C21H35N3O2/c1-2-3-19(25)24-6-4-15(5-7-24)14-22-20(26)23-21-11-16-8-17(12-21)10-18(9-16)13-21/h15-18H,2-14H2,1H3,(H2,22,23,26)
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n/an/a 6.70n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100374
PNG
(US8501783, 1436)
Show SMILES O=C(NCC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|
Show InChI InChI=1S/C23H32N4O2/c28-21(20-2-1-5-24-15-20)27-6-3-16(4-7-27)14-25-22(29)26-23-11-17-8-18(12-23)10-19(9-17)13-23/h1-2,5,15-19H,3-4,6-14H2,(H2,25,26,29)
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n/an/a 7.30n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100373
PNG
(US8501783, 1207)
Show SMILES O=C(NCC1CCN(CC1)C(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 |THB:27:19:22:26.24.25,27:25:22:20.19.28,24:23:20:27.26.25,24:25:20:23.22.28|
Show InChI InChI=1S/C23H32N4O2/c28-21(20-3-1-2-6-24-20)27-7-4-16(5-8-27)15-25-22(29)26-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-3,6,16-19H,4-5,7-15H2,(H2,25,26,29)
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n/an/a 7.60n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100357
PNG
(US10383835, Compound 3d | US11123311, Compound 3d ...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|
Show InChI InChI=1S/C23H33N3O/c27-22(25-23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-6-8-26(9-7-21)16-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H2,24,25,27)
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n/an/a 8.40n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100370
PNG
(US8501783, 1162)
Show SMILES CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|
Show InChI InChI=1S/C20H33N3O2/c1-2-18(24)23-5-3-14(4-6-23)13-21-19(25)22-20-10-15-7-16(11-20)9-17(8-15)12-20/h14-17H,2-13H2,1H3,(H2,21,22,25)
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n/an/a 8.70n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100376
PNG
(US8501783, 1205)
Show SMILES COC(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
Show InChI InChI=1S/C21H33N3O4/c1-28-19(26)3-2-18(25)24-6-4-17(5-7-24)22-20(27)23-21-11-14-8-15(12-21)10-16(9-14)13-21/h14-17H,2-13H2,1H3,(H2,22,23,27)
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n/an/a 9n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100389
PNG
(US8501783, 1505)
Show SMILES OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C24H31N3O4/c28-21(18-2-1-3-19(11-18)22(29)30)27-6-4-20(5-7-27)25-23(31)26-24-12-15-8-16(13-24)10-17(9-15)14-24/h1-3,11,15-17,20H,4-10,12-14H2,(H,29,30)(H2,25,26,31)
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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
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(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 11.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100395
PNG
(US8501783, 1522)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:28:20:23:27.25.26,28:26:23:21.20.29,25:24:21:28.27.26,25:26:21:24.23.29|
Show InChI InChI=1S/C25H33N3O4/c29-22(20-1-3-21(4-2-20)23(30)31)28-7-5-16(6-8-28)15-26-24(32)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-4,16-19H,5-15H2,(H,30,31)(H2,26,27,32)
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n/an/a 11.8n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100423
PNG
(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:22:13:20:16.17.18,THB:22:17:20:13.21.14,21:13:16:20.19.18,21:19:16:13.22.14,12:13:20:16.17.18|
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 14.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(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 27.6n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100420
PNG
(US8501783, 1644 | US8501783, 170)
Show SMILES FC(F)(F)C(=O)N1CCC(CC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:20.19.21,15:16:19:23.22.21,THB:24:22:19:17.25.16,24:16:19:23.22.21,25:20:23:24.17.16|
Show InChI InChI=1S/C19H27F3N2O2/c20-19(21,22)17(26)24-3-1-15(2-4-24)23-16(25)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H,23,25)
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n/an/a 28.3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100392
PNG
(US8501783, 1500)
Show SMILES OC(=O)CCCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|
Show InChI InChI=1S/C22H35N3O4/c26-19(2-1-3-20(27)28)25-6-4-15(5-7-25)14-23-21(29)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-18H,1-14H2,(H,27,28)(H2,23,24,29)
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n/an/a 41.6n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100397
PNG
(US8501783, 1550)
Show SMILES CCCCCCCCCCCCNC(=O)NC1CCNCC1
Show InChI InChI=1S/C18H37N3O/c1-2-3-4-5-6-7-8-9-10-11-14-20-18(22)21-17-12-15-19-16-13-17/h17,19H,2-16H2,1H3,(H2,20,21,22)
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n/an/a 42.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100394
PNG
(US8501783, 1504)
Show SMILES OC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:28:20:23:27.25.26,28:26:23:21.20.29,25:24:21:28.27.26,25:26:21:24.23.29|
Show InChI InChI=1S/C25H33N3O4/c29-22(20-2-1-3-21(11-20)23(30)31)28-6-4-16(5-7-28)15-26-24(32)27-25-12-17-8-18(13-25)10-19(9-17)14-25/h1-3,11,16-19H,4-10,12-15H2,(H,30,31)(H2,26,27,32)
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n/an/a 43.6n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100387
PNG
(US8501783, 1501)
Show SMILES OC(=O)CCCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
Show InChI InChI=1S/C21H33N3O4/c25-18(2-1-3-19(26)27)24-6-4-17(5-7-24)22-20(28)23-21-11-14-8-15(12-21)10-16(9-14)13-21/h14-17H,1-13H2,(H,26,27)(H2,22,23,28)
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n/an/a 72.8n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100400
PNG
(US8501783, 1554)
Show SMILES O=C(NC1CCCCC1)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C15H19N3O/c19-15(17-12-4-2-1-3-5-12)18-13-6-7-14-11(10-13)8-9-16-14/h6-10,12,16H,1-5H2,(H2,17,18,19)
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n/an/a 87n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100361
PNG
(US10383835, Compound 4d | US11123311, Compound 4d ...)
Show SMILES O=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2 |THB:26:18:21:25.23.24,26:24:21:19.18.27,23:22:19:26.25.24,23:24:19:22.21.27|
Show InChI InChI=1S/C24H35N3O/c28-23(26-24-13-20-10-21(14-24)12-22(11-20)15-24)25-16-18-6-8-27(9-7-18)17-19-4-2-1-3-5-19/h1-5,18,20-22H,6-17H2,(H2,25,26,28)
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n/an/a 112n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100388
PNG
(US8501783, 1507)
Show SMILES OC(=O)c1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
Show InChI InChI=1S/C24H31N3O4/c28-21(19-3-1-2-4-20(19)22(29)30)27-7-5-18(6-8-27)25-23(31)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-4,15-18H,5-14H2,(H,29,30)(H2,25,26,31)
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n/an/a 161n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100391
PNG
(US8501783, 1502)
Show SMILES OC(=O)CCC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:24:16:19:23.21.22,24:22:19:17.16.25,21:20:17:24.23.22,21:22:17:20.19.25|
Show InChI InChI=1S/C21H33N3O4/c25-18(1-2-19(26)27)24-5-3-14(4-6-24)13-22-20(28)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h14-17H,1-13H2,(H,26,27)(H2,22,23,28)
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n/an/a 175n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100386
PNG
(US8501783, 1503)
Show SMILES OC(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:25:17:20:24.22.23,25:23:20:18.17.26,22:21:18:25.24.23,22:23:18:21.20.26|
Show InChI InChI=1S/C20H31N3O4/c24-17(1-2-18(25)26)23-5-3-16(4-6-23)21-19(27)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h13-16H,1-12H2,(H,25,26)(H2,21,22,27)
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n/an/a 255n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100418
PNG
(US8501783, 150 | US8501783, 1642 | US8501783, 169)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:22:13:20:17.16.18,12:13:16:20.19.18,THB:21:19:16:14.22.13,21:13:16:20.19.18,22:17:20:21.14.13|
Show InChI InChI=1S/C19H30N2O2/c1-13(22)21-4-2-17(3-5-21)20-18(23)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,2-12H2,1H3,(H,20,23)
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n/an/a 275n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100418
PNG
(US8501783, 150 | US8501783, 1642 | US8501783, 169)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:22:13:20:17.16.18,12:13:16:20.19.18,THB:21:19:16:14.22.13,21:13:16:20.19.18,22:17:20:21.14.13|
Show InChI InChI=1S/C19H30N2O2/c1-13(22)21-4-2-17(3-5-21)20-18(23)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17H,2-12H2,1H3,(H,20,23)
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n/an/a 275n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100393
PNG
(US8501783, 1506)
Show SMILES OC(=O)c1ccccc1C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:28:20:23:27.25.26,28:26:23:21.20.29,25:24:21:28.27.26,25:26:21:24.23.29|
Show InChI InChI=1S/C25H33N3O4/c29-22(20-3-1-2-4-21(20)23(30)31)28-7-5-16(6-8-28)15-26-24(32)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-4,16-19H,5-15H2,(H,30,31)(H2,26,27,32)
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n/an/a 407n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100410
PNG
(US8501783, 1569)
Show SMILES O=C(NC1CCCCC1)Nc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C14H18N4O/c19-14(17-10-4-2-1-3-5-10)18-11-6-7-12-13(8-11)16-9-15-12/h6-10H,1-5H2,(H,15,16)(H2,17,18,19)
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n/an/a 457n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100413
PNG
(US8501783, 1602)
Show SMILES O=C(NC1CCCCC1)NC1CCNCC1
Show InChI InChI=1S/C12H23N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H2,14,15,16)
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n/an/a 562n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100360
PNG
(US10383835, Compound 4c | US11123311, Compound 4c ...)
Show SMILES CCCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|
Show InChI InChI=1S/C21H37N3O/c1-2-3-6-24-7-4-16(5-8-24)15-22-20(25)23-21-12-17-9-18(13-21)11-19(10-17)14-21/h16-19H,2-15H2,1H3,(H2,22,23,25)
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n/an/a 613n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100399
PNG
(US8501783, 1553)
Show SMILES CCCCCCCCCCCCNC(=O)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C21H33N3O/c1-2-3-4-5-6-7-8-9-10-11-15-23-21(25)24-19-12-13-20-18(17-19)14-16-22-20/h12-14,16-17,22H,2-11,15H2,1H3,(H2,23,24,25)
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n/an/a 639n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100355
PNG
(US10383835, Compound 3b | US11123311, Compound 3b ...)
Show SMILES CCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:21:13:16:20.18.19,21:19:16:14.13.22,18:17:14:21.20.19,18:19:14:17.16.22|
Show InChI InChI=1S/C19H33N3O/c1-2-5-22-6-3-17(4-7-22)20-18(23)21-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,2-13H2,1H3,(H2,20,21,23)
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n/an/a 809n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2201
PNG
(US8501783, 1175)
Show SMILES O=C(CC1CCC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|
Show InChI InChI=1S/C17H28N2O/c20-16(7-12-2-1-3-18-11-12)19-17-8-13-4-14(9-17)6-15(5-13)10-17/h12-15,18H,1-11H2,(H,19,20)/p+1
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n/an/a 960n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100356
PNG
(US10383835, Compound 3c | US11123311, Compound 3c ...)
Show SMILES CCCCN1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:22:14:17:21.19.20,22:20:17:15.14.23,19:18:15:22.21.20,19:20:15:18.17.23|
Show InChI InChI=1S/C20H35N3O/c1-2-3-6-23-7-4-18(5-8-23)21-19(24)22-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-18H,2-14H2,1H3,(H2,21,22,24)
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n/an/a 1.25E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100403
PNG
(US8501783, 1558)
Show SMILES Cc1c(COC(=O)NCc2ccncc2)cccc1-c1ccccc1
Show InChI InChI=1S/C21H20N2O2/c1-16-19(8-5-9-20(16)18-6-3-2-4-7-18)15-25-21(24)23-14-17-10-12-22-13-11-17/h2-13H,14-15H2,1H3,(H,23,24)
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n/an/a 1.33E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100411
PNG
(US8501783, 1570)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCNCC2)cc1
Show InChI InChI=1S/C13H16F3N3O2/c14-13(15,16)21-11-3-1-9(2-4-11)18-12(20)19-10-5-7-17-8-6-10/h1-4,10,17H,5-8H2,(H2,18,19,20)
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n/an/a 2.32E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100359
PNG
(US10383835, Compound 4b | US11123311, Compound 4b ...)
Show SMILES CCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:20:12:15:19.17.18,20:18:15:13.12.21,17:16:13:20.19.18,17:18:13:16.15.21|
Show InChI InChI=1S/C20H35N3O/c1-2-5-23-6-3-15(4-7-23)14-21-19(24)22-20-11-16-8-17(12-20)10-18(9-16)13-20/h15-18H,2-14H2,1H3,(H2,21,22,24)
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n/an/a 2.58E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2202
PNG
(US8501783, 1152)
Show SMILES CCN1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|
Show InChI InChI=1S/C19H32N2O/c1-2-21-5-3-14(4-6-21)10-18(22)20-19-11-15-7-16(12-19)9-17(8-15)13-19/h14-17H,2-13H2,1H3,(H,20,22)
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n/an/a 3.76E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100358
PNG
(US10383835, Compound 4a | US11123311, Compound 4a ...)
Show SMILES CCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:19:11:14:18.16.17,19:17:14:12.11.20,16:15:12:19.18.17,16:17:12:15.14.20|
Show InChI InChI=1S/C19H33N3O/c1-2-22-5-3-14(4-6-22)13-20-18(23)21-19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,2-13H2,1H3,(H2,20,21,23)
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n/an/a 3.95E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100419
PNG
(US8501783, 1643)
Show SMILES FC(F)(F)C(=O)N1CCC(CC1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:15:22:18.19.20,13:15:18:22.21.20,THB:24:19:22:15.23.16,23:15:18:22.21.20,23:21:18:15.24.16|
Show InChI InChI=1S/C18H25F3N2O2/c19-18(20,21)16(25)23-3-1-14(2-4-23)22-15(24)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,22,24)
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n/an/a 4.21E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM2199
PNG
(US8501783, 1118)
Show SMILES O=C(CC1CC[NH2+]CC1)NC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|
Show InChI InChI=1S/C17H28N2O/c20-16(8-12-1-3-18-4-2-12)19-17-9-13-5-14(10-17)7-15(6-13)11-17/h12-15,18H,1-11H2,(H,19,20)/p+1
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n/an/a 4.26E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100405
PNG
(US8501783, 1560)
Show SMILES Cc1c(COC(=O)NCc2cccnc2)cccc1-c1ccccc1
Show InChI InChI=1S/C21H20N2O2/c1-16-19(10-5-11-20(16)18-8-3-2-4-9-18)15-25-21(24)23-14-17-7-6-12-22-13-17/h2-13H,14-15H2,1H3,(H,23,24)
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n/an/a 4.41E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100409
PNG
(US8501783, 1568)
Show SMILES CCCCCCCCCCCCNC(=O)Nc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C20H32N4O/c1-2-3-4-5-6-7-8-9-10-11-14-21-20(25)24-17-12-13-18-19(15-17)23-16-22-18/h12-13,15-16H,2-11,14H2,1H3,(H,22,23)(H2,21,24,25)
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n/an/a 5.02E+3n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100402
PNG
(US8501783, 1557)
Show SMILES O=C(NCc1ccncc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-15-9-11-20-12-10-15)23-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100407
PNG
(US8501783, 1562)
Show SMILES Cc1cc(OC(=O)N2CCOCC2)ccc1-c1ccccc1
Show InChI InChI=1S/C18H19NO3/c1-14-13-16(22-18(20)19-9-11-21-12-10-19)7-8-17(14)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100417
PNG
(US8501783, 1641)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:21:12:19:15.16.17,10:12:15:19.18.17,THB:21:16:19:12.20.13,20:12:15:19.18.17,20:18:15:12.21.13|
Show InChI InChI=1S/C18H28N2O2/c1-12(21)20-4-2-16(3-5-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H,19,22)
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100396
PNG
(US8501783, 1549)
Show SMILES O=C(NC1CCCCC1)NC12CN3CN(CN(C3)C1)C2 |TLB:19:10:17:13.14.15,THB:19:14:17:10.18.11,18:10:13:17.16.15,18:16:13:10.19.11,9:10:17:13.14.15|
Show InChI InChI=1S/C14H25N5O/c20-13(15-12-4-2-1-3-5-12)16-14-6-17-9-18(7-14)11-19(8-14)10-17/h12H,1-11H2,(H2,15,16,20)
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n/an/a 1.36E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100404
PNG
(US8501783, 1559)
Show SMILES O=C(NCc1cccnc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-15-6-5-11-20-13-15)23-18-10-4-9-17(12-18)16-7-2-1-3-8-16/h1-13H,14H2,(H,21,22)
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n/an/a 2.30E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100406
PNG
(US8501783, 1561)
Show SMILES O=C(Oc1cccc(c1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H17NO3/c19-17(18-9-11-20-12-10-18)21-16-8-4-7-15(13-16)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 6.53E+4n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))		BDBM100414
PNG
(US8501783, 1604)
Show SMILES O=C(NC1CCNCC1)NC1CCNCC1
Show InChI InChI=1S/C11H22N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h9-10,12-13H,1-8H2,(H2,14,15,16)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Inhibition assay of human soluble epoxide hydrolases.

US Patent US8501783 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JD1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%