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Compile Data Set for Download or QSAR

Found 441 hits of ic50 for UniProtKB: P07099   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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n/an/a 0.400n/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))
BDBM50327850
PNG
(1-(1-Tosylpiperidin-4-yl)-3-(4-(trifluoromethoxy)p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N3O4S/c1-14-2-8-18(9-3-14)31(28,29)26-12-10-16(11-13-26)25-19(27)24-15-4-6-17(7-5-15)30-20(21,22)23/h2-9,16H,10-13H2,1H3,(H2,24,25,27)
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n/an/a 0.400n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
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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n/an/a 0.400n/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))
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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n/an/a 0.800n/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))
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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n/an/a 0.900n/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))
BDBM50551715
PNG
(CHEMBL4741234)
Show SMILES NC(=O)C(SCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C1CCCC1
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n/an/a 0.940n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tissue extract derived mEH (unknown origin) using [3H]trans-stilbene oxide as substrate by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
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 1.10n/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))
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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n/an/a 1.10n/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))
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))
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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n/an/a 1.30n/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))
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))
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))
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))
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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n/an/a 2.10n/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))
BDBM50551715
PNG
(CHEMBL4741234)
Show SMILES NC(=O)C(SCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C1CCCC1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
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))
BDBM50551714
PNG
(CHEMBL4761537)
Show SMILES CC(SC(C1CCCC1)C(N)=O)c1cccc(c1)C(F)(F)F
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
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))
BDBM50551719
PNG
(CHEMBL4759724)
Show SMILES NC(=O)C(SCc1cc(Br)cc(Br)c1)C1CCCC1
KEGG

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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50551717
PNG
(CHEMBL4778376)
Show SMILES NC(=O)C(SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1
KEGG

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
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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US Patent
n/an/a 10n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent


Assay Description
The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...


US Patent US10383835 (2019)


BindingDB Entry DOI: 10.7270/Q2XD141M
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50551716
PNG
(CHEMBL4744212)
Show SMILES NC(=O)C(SCc1ccc(F)c(c1)C(F)(F)F)C1CCCC1
KEGG

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Assay Description
Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
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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US Patent
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))
BDBM50551720
PNG
(CHEMBL4785066)
Show SMILES NC(=O)C(SCc1cc(Cl)cc(Cl)c1)C1CCCC1
KEGG

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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
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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US Patent
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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US Patent
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))
BDBM50551713
PNG
(CHEMBL4758328)
Show SMILES NC(=O)C(SCCc1cccc(c1)C(F)(F)F)C1CCCC1
KEGG

UniProtKB/SwissProt

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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112206
BindingDB Entry DOI: 10.7270/Q2S75KZN
More data for this
Ligand-Target Pair
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